ethyl 2-[5-(4-aminophenyl)carbonyl-4,4-dimethyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-aminophenyl)carbonyl-4,4-dimethyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(4-aminobenzoyl)-4,4-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl]acetate CAS Name: 2-[5-[(4-aminophenyl)-oxomethyl]-4,4-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-aminobenzoyl)-4,4-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(4-aminobenzoyl)-2-keto-4,4-dimethyl-3H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N)(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N)(C)C

InChI

InChI=1S/C22H25N3O4/c1-4-29-20(27)14-24-17-7-5-6-8-18(17)25(22(2,3)13-19(24)26)21(28)15-9-11-16(23)12-10-15/h5-12H,4,13-14,23H2,1-3H3