N-(4-azanylcyclohexyl)-N-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[3-azanyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-2-phenyl-ethanamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl]-2-phenyl-acetamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl]-2-phenylacetamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]-2-phenylacetamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[3-amino-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]-2-phenyl-acetamide Formula: C36H42N6O MolecularWeight: 574.75828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)CC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)N)C(=O)CC6=CC=CC=C6

InChI

InChI=1S/C36H42N6O/c37-31-13-15-32(16-14-31)42(36(43)24-27-7-2-1-3-8-27)26-28-9-6-10-29(23-28)30-12-17-34(33(38)25-30)40-19-21-41(22-20-40)35-11-4-5-18-39-35/h1-12,17-18,23,25,31-32H,13-16,19-22,24,26,37-38H2