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

Systemtic Name: N-[[1-(N-cyano-N'-propan-2-yl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-isopropyl-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-propan-2-yliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-propan-2-ylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-isopropyl-amidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)N=C(NC#N)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C25H31N5O2/c1-19(2)29-24(28-18-26)30-15-13-25(14-16-30,20-9-5-4-6-10-20)17-27-23(31)21-11-7-8-12-22(21)32-3/h4-12,19H,13-17H2,1-3H3,(H,27,31)(H,28,29)