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

Systemtic Name: N-[[1-(N-cyano-N'-cyclopropyl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-cyclopropyl-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-cyclopropyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-cyclopropylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-cyclopropyl-amidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3CC3)NC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3CC3)NC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-32-22-10-6-5-9-21(22)23(31)27-17-25(19-7-3-2-4-8-19)13-15-30(16-14-25)24(28-18-26)29-20-11-12-20/h2-10,20H,11-17H2,1H3,(H,27,31)(H,28,29)