tert-butyl 2-[3-azanyl-5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-azanyl-5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-amino-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-amino-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-amino-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-amino-5-(2-fluorophenyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24FN3O3/c1-13-8-7-10-15-18(14-9-5-6-11-16(14)23)25-20(24)21(28)26(19(13)15)12-17(27)29-22(2,3)4/h5-11,20H,12,24H2,1-4H3