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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) butanoate Openeye Name: (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) butanoate CAS Name: butanoic 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) butanoate Traditional Name: butyric acid (2-keto-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(=O)NC2=CN(C(=C2C(=N1)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCC(=O)OC1C(=O)NC2=CN(C(=C2C(=N1)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H21N3O3/c1-4-8-15(23)25-19-18(24)20-14-11-22(3)12(2)16(14)17(21-19)13-9-6-5-7-10-13/h5-7,9-11,19H,4,8H2,1-3H3,(H,20,24)