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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,4-dimethoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-methylamino]-1-phenylcyclohexyl]methyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-methylamino]-1-phenylcyclohexyl]methyl]-2,4-dimethoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,4-dimethoxy-benzamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3/c1-30(24(27)29-17-26)19-11-13-25(14-12-19,18-7-5-4-6-8-18)16-28-23(31)21-10-9-20(32-2)15-22(21)33-3/h4-10,15,19H,11-14,16H2,1-3H3,(H2,27,29)(H,28,31)