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

Systemtic Name: N-[[1-(N'-butyl-N-cyano-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N'-butyl-N-cyano-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[butylimino-(cyanoamino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N'-butyl-N-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N'-butyl-N-cyano-amidino)-4-phenyl-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C26H33N5O2 MolecularWeight: 447.57252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-3-4-16-28-25(30-20-27)31-17-14-26(15-18-31,21-10-6-5-7-11-21)19-29-24(32)22-12-8-9-13-23(22)33-2/h5-13H,3-4,14-19H2,1-2H3,(H,28,30)(H,29,32)