Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

EVU : Summary

Code

EVU

One-letter code

X

Molecule name

4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one

Formula

C17 H19 N3 O

Formal charge

0

Molecular weight

281.352 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3
Canonical SMILES CACTVS 3.385 NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3

IUPAC InChI

InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21)

IUPAC InChI key

PENSDGIWXYUOBB-UHFFFAOYSA-N
EVU

wwPDB Information

Atom count

40 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-06

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned