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

Systemtic Name: N-[[1-[N-cyano-N'-(cyclopropylmethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N-cyano-N'-(cyclopropylmethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-(cyclopropylmethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N-cyano-N'-(cyclopropylmethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N-cyano-N'-(cyclopropylmethyl)amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3CC3)NC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NCC3CC3)NC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-22(23)24(32)29-18-26(21-7-3-2-4-8-21)13-15-31(16-14-26)25(30-19-27)28-17-20-11-12-20/h2-10,20H,11-18H2,1H3,(H,28,30)(H,29,32)