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

Systemtic Name: N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-(2-hydroxyethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-[N-cyano-N'-(2-hydroxyethyl)amidino]-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O3/c1-32-21-10-6-5-9-20(21)22(31)27-17-24(19-7-3-2-4-8-19)11-14-29(15-12-24)23(28-18-25)26-13-16-30/h2-10,30H,11-17H2,1H3,(H,26,28)(H,27,31)