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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) 4-tert-butylbenzoate Openeye Name: (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-keto-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN1C)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C2C(=CN1C)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H27N3O3/c1-16-21-20(15-29(16)5)27-23(30)24(28-22(21)17-9-7-6-8-10-17)32-25(31)18-11-13-19(14-12-18)26(2,3)4/h6-15,24H,1-5H3,(H,27,30)