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

Systemtic Name: N-[[4-[tert-butyl-(N'-cyanocarbamimidoyl)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[tert-butyl-(N'-cyanocarbamimidoyl)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-tert-butylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[tert-butyl-(N'-cyanocarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[tert-butyl-(N'-cyanoamidino)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C27H35N5O2 MolecularWeight: 461.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

Isomeric SMILES

CC(C)(C)N(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

InChI

InChI=1S/C27H35N5O2/c1-26(2,3)32(25(29)31-19-28)21-14-16-27(17-15-21,20-10-6-5-7-11-20)18-30-24(33)22-12-8-9-13-23(22)34-4/h5-13,21H,14-18H2,1-4H3,(H2,29,31)(H,30,33)