2-(3,4-dimethoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]cinchoninamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5)OC

InChI

InChI=1S/C27H25N5O4/c1-35-23-9-7-17(13-24(23)36-2)22-14-20(19-5-3-4-6-21(19)31-22)27(34)30-18-8-10-25(29-15-18)32-12-11-28-26(33)16-32/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,33)(H,30,34)