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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-ethyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-ethyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-ethylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-ethylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-ethyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-3-30(24(27)29-18-26)20-13-15-25(16-14-20,19-9-5-4-6-10-19)17-28-23(31)21-11-7-8-12-22(21)32-2/h4-12,20H,3,13-17H2,1-2H3,(H2,27,29)(H,28,31)