(6,7-dimethyl-2-oxidanylidene-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) cyclohexanecarboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) cyclohexanecarboxylate Openeye Name: (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) ester IUPAC Name: (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (2-keto-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN1C)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4CCCCC4

Isomeric SMILES

CC1=C2C(=CN1C)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4CCCCC4

InChI

InChI=1S/C22H25N3O3/c1-14-18-17(13-25(14)2)23-20(26)21(24-19(18)15-9-5-3-6-10-15)28-22(27)16-11-7-4-8-12-16/h3,5-6,9-10,13,16,21H,4,7-8,11-12H2,1-2H3,(H,23,26)