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

Systemtic Name: methyl 3-[(3S)-7-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoate Openeye Name: methyl 3-[(3S)-7-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoate CAS Name: 3-[(3S)-7-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S)-7-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]propanoate Traditional Name: 3-[(3S)-7-chloro-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]propionic acid methyl ester Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CCC(=O)OC)C3=CC=CC=C3F

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=N[C@H](C1=O)CCC(=O)OC)C3=CC=CC=C3F

InChI

InChI=1S/C20H18ClFN2O3/c1-24-17-9-7-12(21)11-14(17)19(13-5-3-4-6-15(13)22)23-16(20(24)26)8-10-18(25)27-2/h3-7,9,11,16H,8,10H2,1-2H3/t16-/m0/s1