N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methoxyphenyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[amino(cyanoimino)methyl]-4-(3-methoxyphenyl)-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N'-cyanocarbamimidoyl)-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N'-cyanoamidino)-4-(3-methoxyphenyl)-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C23H27N5O3 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C(=NC#N)N)CNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C(=NC#N)N)CNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C23H27N5O3/c1-30-18-7-5-6-17(14-18)23(10-12-28(13-11-23)22(25)27-16-24)15-26-21(29)19-8-3-4-9-20(19)31-2/h3-9,14H,10-13,15H2,1-2H3,(H2,25,27)(H,26,29)