1-[1-ethyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]ethyl ethanoate

Systemtic Name: 1-[1-ethyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]ethyl ethanoate Openeye Name: 1-[1-ethyl-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-7-yl]ethyl acetate CAS Name: acetic acid 1-[1-ethyl-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-7-yl]ethyl ester IUPAC Name: 1-[1-ethyl-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-7-yl]ethyl acetate Traditional Name: acetic acid 1-[1-ethyl-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-7-yl]ethyl ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CN=C(C2=C1C=CC(=C2)C(C)OC(=O)C)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=O)CN=C(C2=C1C=CC(=C2)C(C)OC(=O)C)C3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O3/c1-4-24-19-10-9-15(13(2)27-14(3)25)11-17(19)21(23-12-20(24)26)16-7-5-6-8-18(16)22/h5-11,13H,4,12H2,1-3H3