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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-methoxypyridin-3-yl)benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-methoxy-3-pyridyl)benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-methylamino]-1-phenylcyclohexyl]methyl]-2-(2-methoxy-3-pyridinyl)benzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-methylamino]-1-phenylcyclohexyl]methyl]-2-(2-methoxypyridin-3-yl)benzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-methyl-amino]-1-phenyl-cyclohexyl]methyl]-2-(2-methoxy-3-pyridyl)benzamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O2/c1-35(28(31)34-20-30)22-14-16-29(17-15-22,21-9-4-3-5-10-21)19-33-26(36)24-12-7-6-11-23(24)25-13-8-18-32-27(25)37-2/h3-13,18,22H,14-17,19H2,1-2H3,(H2,31,34)(H,33,36)