2-(3,4-dimethoxyphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[4-(3-ketopiperazino)benzyl]cinchoninamide Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)N5CCNC(=O)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)N5CCNC(=O)C5)OC

InChI

InChI=1S/C29H28N4O4/c1-36-26-12-9-20(15-27(26)37-2)25-16-23(22-5-3-4-6-24(22)32-25)29(35)31-17-19-7-10-21(11-8-19)33-14-13-30-28(34)18-33/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,34)(H,31,35)