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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(CCO)C(=NC#N)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(CCO)C(=NC#N)N)C3=CC=CC=C3

InChI

InChI=1S/C25H31N5O3/c1-33-22-10-6-5-9-21(22)23(32)28-17-25(19-7-3-2-4-8-19)13-11-20(12-14-25)30(15-16-31)24(27)29-18-26/h2-10,20,31H,11-17H2,1H3,(H2,27,29)(H,28,32)