N-[[1-[N-cyano-N'-(2-pyridin-4-ylethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-[N-cyano-N'-(2-pyridin-4-ylethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N-cyano-N'-[2-(4-pyridyl)ethyl]carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-(2-pyridin-4-ylethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N-cyano-N'-(2-pyridin-4-ylethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N-cyano-N'-[2-(4-pyridyl)ethyl]amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCC3=CC=NC=C3)NC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCCC3=CC=NC=C3)NC#N)C4=CC=CC=C4

InChI

InChI=1S/C29H32N6O2/c1-37-26-10-6-5-9-25(26)27(36)33-21-29(24-7-3-2-4-8-24)14-19-35(20-15-29)28(34-22-30)32-18-13-23-11-16-31-17-12-23/h2-12,16-17H,13-15,18-21H2,1H3,(H,32,34)(H,33,36)