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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-propyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[(N'-cyanocarbamimidoyl)-propyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-propylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[(N'-cyanocarbamimidoyl)-propylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[(N'-cyanoamidino)-propyl-amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

Isomeric SMILES

CCCN(C1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C(=NC#N)N

InChI

InChI=1S/C26H33N5O2/c1-3-17-31(25(28)30-19-27)21-13-15-26(16-14-21,20-9-5-4-6-10-20)18-29-24(32)22-11-7-8-12-23(22)33-2/h4-12,21H,3,13-18H2,1-2H3,(H2,28,30)(H,29,32)