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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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