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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-phenoxypyridin-3-yl)benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-phenoxy-3-pyridyl)benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-methylamino]-1-phenylcyclohexyl]methyl]-2-(2-phenoxy-3-pyridinyl)benzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-methylamino]-1-phenylcyclohexyl]methyl]-2-(2-phenoxypyridin-3-yl)benzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-phenoxy-3-pyridyl)benzamide Formula: C34H34N6O2 MolecularWeight: 558.67276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2C3=C(N=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5)C(=NC#N)N

Isomeric SMILES

CN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2C3=C(N=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5)C(=NC#N)N

InChI

InChI=1S/C34H34N6O2/c1-40(33(36)39-24-35)26-18-20-34(21-19-26,25-11-4-2-5-12-25)23-38-31(41)29-16-9-8-15-28(29)30-17-10-22-37-32(30)42-27-13-6-3-7-14-27/h2-17,22,26H,18-21,23H2,1H3,(H2,36,39)(H,38,41)