Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZOU : Summary

Code

ZOU

One-letter code

X

Molecule name

4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
OpenEye OEToolkits 2.0.7 4-(furan-2-ylcarbonyl)-~{N}-(2-methoxy-5-methyl-phenyl)piperazine-1-carboxamide

Formula

C18 H21 N3 O4

Formal charge

0

Molecular weight

343.377 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco1
SMILES CACTVS 3.385 COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)OC
Canonical SMILES CACTVS 3.385 COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=O)c3occc3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)OC

IUPAC InChI

InChI=1S/C18H21N3O4/c1-13-5-6-15(24-2)14(12-13)19-18(23)21-9-7-20(8-10-21)17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)

IUPAC InChI key

SUWVNQBVHZNJOQ-UHFFFAOYSA-N
ZOU

wwPDB Information

Atom count

46 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-17

Last modified at

2023-03-24

Status

Released

Obsoleted

Not Assigned