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

Systemtic Name: N-[[4-[(N'-cyanocarbamimidoyl)-(phenylmethyl)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Openeye Name: N-[[4-[benzyl-(N'-cyanocarbamimidoyl)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide CAS Name: N-[[4-[[amino(cyanoimino)methyl]-(phenylmethyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[4-[benzyl-(N'-cyanocarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide Traditional Name: N-[[4-[benzyl-(N'-cyanoamidino)amino]-1-phenyl-cyclohexyl]methyl]-2-methoxy-benzamide Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(CC3=CC=CC=C3)C(=NC#N)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)N(CC3=CC=CC=C3)C(=NC#N)N)C4=CC=CC=C4

InChI

InChI=1S/C30H33N5O2/c1-37-27-15-9-8-14-26(27)28(36)33-21-30(24-12-6-3-7-13-24)18-16-25(17-19-30)35(29(32)34-22-31)20-23-10-4-2-5-11-23/h2-15,25H,16-21H2,1H3,(H2,32,34)(H,33,36)