methyl 3-[(3S)-7-bromanyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S)-7-bromanyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Openeye Name: methyl 3-[(3S)-7-bromo-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate CAS Name: 3-[(3S)-7-bromo-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S)-7-bromo-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Traditional Name: 3-[(3S)-7-bromo-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid methyl ester Formula: C19H16BrFN2O3 MolecularWeight: 419.244343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)CC[C@H]1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C19H16BrFN2O3/c1-26-17(24)9-8-16-19(25)23-15-7-6-11(20)10-13(15)18(22-16)12-4-2-3-5-14(12)21/h2-7,10,16H,8-9H2,1H3,(H,23,25)/t16-/m0/s1