propyl 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: propyl 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: propyl 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid propyl ester IUPAC Name: propyl 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid propyl ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O3/c1-2-10-26-19(25)13-23-17-9-8-15(21)11-16(17)20(22-12-18(23)24)14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3