N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-cyanophenyl)piperazino]methyl]-2-pyridyl]benzamide Formula: C31H27N7O MolecularWeight: 513.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C5=CC=CC=C5C#N

InChI

InChI=1S/C31H27N7O/c32-18-25-5-1-4-8-29(25)38-15-13-37(14-16-38)21-22-17-26(19-33)30(35-20-22)23-9-11-24(12-10-23)31(39)36-28-7-3-2-6-27(28)34/h1-12,17,20H,13-16,21,34H2,(H,36,39)