N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,3-diethoxy-benzamide

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,3-diethoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,3-diethoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-methylamino]-1-phenylcyclohexyl]methyl]-2,3-diethoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-methylamino]-1-phenylcyclohexyl]methyl]-2,3-diethoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2,3-diethoxy-benzamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC)C(=O)NCC2(CCC(CC2)N(C)C(=NC#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1OCC)C(=O)NCC2(CCC(CC2)N(C)C(=NC#N)N)C3=CC=CC=C3

InChI

InChI=1S/C27H35N5O3/c1-4-34-23-13-9-12-22(24(23)35-5-2)25(33)30-18-27(20-10-7-6-8-11-20)16-14-21(15-17-27)32(3)26(29)31-19-28/h6-13,21H,4-5,14-18H2,1-3H3,(H2,29,31)(H,30,33)