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

Systemtic Name: 1-cyano-2-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]-1-phenyl-guanidine Openeye Name: 2-[2-[(3-benzyl-5-oxo-piperazin-1-yl)methyl]cyclohexyl]-1-cyano-1-phenyl-guanidine CAS Name: 1-cyano-2-[2-[[3-oxo-5-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]-1-phenylguanidine IUPAC Name: 2-[2-[(3-benzyl-5-oxopiperazin-1-yl)methyl]cyclohexyl]-1-cyano-1-phenylguanidine Traditional Name: 2-[2-[(3-benzyl-5-keto-piperazino)methyl]cyclohexyl]-1-cyano-1-phenyl-guanidine Formula: C26H32N6O MolecularWeight: 444.57188

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O/c27-19-32(23-12-5-2-6-13-23)26(28)30-24-14-8-7-11-21(24)16-31-17-22(29-25(33)18-31)15-20-9-3-1-4-10-20/h1-6,9-10,12-13,21-22,24H,7-8,11,14-18H2,(H2,28,30)(H,29,33)