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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-hexyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-hexyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-hexylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-hexylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-hexyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O2/c1-3-4-5-11-20-34(28(31)33-22-30)24-16-18-29(19-17-24,23-12-7-6-8-13-23)21-32-27(35)25-14-9-10-15-26(25)36-2/h6-10,12-15,24H,3-5,11,16-21H2,1-2H3,(H2,31,33)(H,32,35)