ethyl 3-(3-azanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate

Systemtic Name: ethyl 3-(3-azanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Openeye Name: ethyl 3-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate CAS Name: 3-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-amino-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Traditional Name: 3-(3-amino-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-2-26-17(24)12-13-23-16-11-7-6-10-15(16)18(22-19(21)20(23)25)14-8-4-3-5-9-14/h3-11,19H,2,12-13,21H2,1H3