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

Systemtic Name: N-[[1-(N-cyano-N'-cyclopentyl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-cyclopentyl-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-cyclopentyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-cyclopentylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-cyclopentyl-amidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3CCCC3)NC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3CCCC3)NC#N)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2/c1-34-24-14-8-7-13-23(24)25(33)29-19-27(21-9-3-2-4-10-21)15-17-32(18-16-27)26(30-20-28)31-22-11-5-6-12-22/h2-4,7-10,13-14,22H,5-6,11-12,15-19H2,1H3,(H,29,33)(H,30,31)