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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) decanoate Openeye Name: (6,7-dimethyl-2-oxo-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) decanoate CAS Name: decanoic 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) decanoate Traditional Name: capric acid (2-keto-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-3-yl) ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-4-5-6-7-8-9-13-16-21(29)31-25-24(30)26-20-17-28(3)18(2)22(20)23(27-25)19-14-11-10-12-15-19/h10-12,14-15,17,25H,4-9,13,16H2,1-3H3,(H,26,30)