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

Systemtic Name: 1-cyano-1-(3-cyanophenyl)-2-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]guanidine Openeye Name: 2-[2-[(3-benzyl-5-oxo-piperazin-1-yl)methyl]cyclohexyl]-1-cyano-1-(3-cyanophenyl)guanidine CAS Name: 1-cyano-1-(3-cyanophenyl)-2-[2-[[3-oxo-5-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]guanidine IUPAC Name: 2-[2-[(3-benzyl-5-oxopiperazin-1-yl)methyl]cyclohexyl]-1-cyano-1-(3-cyanophenyl)guanidine Traditional Name: 2-[2-[(3-benzyl-5-keto-piperazino)methyl]cyclohexyl]-1-cyano-1-(3-cyanophenyl)guanidine Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2CC(NC(=O)C2)CC3=CC=CC=C3)N=C(N)N(C#N)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(C(C1)CN2CC(NC(=O)C2)CC3=CC=CC=C3)N=C(N)N(C#N)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H31N7O/c28-15-21-9-6-11-24(14-21)34(19-29)27(30)32-25-12-5-4-10-22(25)16-33-17-23(31-26(35)18-33)13-20-7-2-1-3-8-20/h1-3,6-9,11,14,22-23,25H,4-5,10,12-13,16-18H2,(H2,30,32)(H,31,35)