1-cyano-1-(3-ethanoylphenyl)-2-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]guanidine

Systemtic Name: 1-cyano-1-(3-ethanoylphenyl)-2-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]guanidine Openeye Name: 1-(3-acetylphenyl)-2-[2-[(3-benzyl-5-oxo-piperazin-1-yl)methyl]cyclohexyl]-1-cyano-guanidine CAS Name: 1-(3-acetylphenyl)-1-cyano-2-[2-[[3-oxo-5-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]guanidine IUPAC Name: 1-(3-acetylphenyl)-2-[2-[(3-benzyl-5-oxopiperazin-1-yl)methyl]cyclohexyl]-1-cyanoguanidine Traditional Name: 1-(3-acetylphenyl)-2-[2-[(3-benzyl-5-keto-piperazino)methyl]cyclohexyl]-1-cyano-guanidine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(C#N)C(=NC2CCCCC2CN3CC(NC(=O)C3)CC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(C#N)C(=NC2CCCCC2CN3CC(NC(=O)C3)CC4=CC=CC=C4)N

InChI

InChI=1S/C28H34N6O2/c1-20(35)22-11-7-12-25(15-22)34(19-29)28(30)32-26-13-6-5-10-23(26)16-33-17-24(31-27(36)18-33)14-21-8-3-2-4-9-21/h2-4,7-9,11-12,15,23-24,26H,5-6,10,13-14,16-18H2,1H3,(H2,30,32)(H,31,36)