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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-pyridyl)piperazino]methyl]-2-pyridyl]benzamide Formula: C29H27N7O MolecularWeight: 489.57098

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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=N5

Isomeric SMILES

C1CN(CCN1CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C5=CC=CC=N5

InChI

InChI=1S/C29H27N7O/c30-18-24-17-21(20-35-13-15-36(16-14-35)27-7-3-4-12-32-27)19-33-28(24)22-8-10-23(11-9-22)29(37)34-26-6-2-1-5-25(26)31/h1-12,17,19H,13-16,20,31H2,(H,34,37)