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

Systemtic Name: N-[[1-[N-cyano-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N-cyano-N'-(4-pyridylmethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-(pyridin-4-ylmethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N-cyano-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N-cyano-N'-(4-pyridylmethyl)amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3=CC=NC=C3)NC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3=CC=NC=C3)NC#N)C4=CC=CC=C4

InChI

InChI=1S/C28H30N6O2/c1-36-25-10-6-5-9-24(25)26(35)32-20-28(23-7-3-2-4-8-23)13-17-34(18-14-28)27(33-21-29)31-19-22-11-15-30-16-12-22/h2-12,15-16H,13-14,17-20H2,1H3,(H,31,33)(H,32,35)