Chemical Components in the PDB

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NUZ : Summary

Code

NUZ

One-letter code

X

Molecule name

[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

Synonyms

nucleozin

Systematic names

ProgramVersionName
ACDLabs 12.01 [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
OpenEye OEToolkits 1.9.2 [4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

Formula

C21 H19 Cl N4 O4

Formal charge

0

Molecular weight

426.853 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
SMILES CACTVS 3.385 Cc1onc(c2ccccc2)c1C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]
Canonical SMILES CACTVS 3.385 Cc1onc(c2ccccc2)c1C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]

IUPAC InChI

InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3

IUPAC InChI key

OWXBJAPOSQSWAO-UHFFFAOYSA-N
NUZ

wwPDB Information

Atom count

49 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-12-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned