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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-cyclopropyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-cyclopropyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-cyclopropylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-cyclopropylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-cyclopropyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(C3CC3)C(=NC#N)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(C3CC3)C(=NC#N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-22(23)24(32)29-17-26(19-7-3-2-4-8-19)15-13-21(14-16-26)31(20-11-12-20)25(28)30-18-27/h2-10,20-21H,11-17H2,1H3,(H2,28,30)(H,29,32)