N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-phenoxy-benzamide

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-phenoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-phenoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-methylamino]-1-phenylcyclohexyl]methyl]-2-phenoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-methylamino]-1-phenylcyclohexyl]methyl]-2-phenoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-phenoxy-benzamide Formula: C29H31N5O2 MolecularWeight: 481.58874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C4=CC=CC=C4)C(=NC#N)N

Isomeric SMILES

CN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C4=CC=CC=C4)C(=NC#N)N

InChI

InChI=1S/C29H31N5O2/c1-34(28(31)33-21-30)23-16-18-29(19-17-23,22-10-4-2-5-11-22)20-32-27(35)25-14-8-9-15-26(25)36-24-12-6-3-7-13-24/h2-15,23H,16-20H2,1H3,(H2,31,33)(H,32,35)