1-cyano-2-(cyclohexylmethyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine

Systemtic Name: 1-cyano-2-(cyclohexylmethyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine Openeye Name: 1-cyano-2-(cyclohexylmethyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine CAS Name: 1-cyano-2-(cyclohexylmethyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine IUPAC Name: 1-cyano-2-(cyclohexylmethyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine Traditional Name: 1-cyano-2-(cyclohexylmethyl)-1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)guanidine Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C#N)C(=NCC3CCCCC3)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C#N)C(=NCC3CCCCC3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O/c1-30-21-15-9-8-14-20(21)22(19-12-6-3-7-13-19)29-23(24(30)32)31(17-26)25(27)28-16-18-10-4-2-5-11-18/h3,6-9,12-15,18,23H,2,4-5,10-11,16H2,1H3,(H2,27,28)