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

Systemtic Name: methyl 2-[[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxo-butanoate CAS Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-oxobutanoate Traditional Name: 2-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amino]-3-keto-butyric acid methyl ester Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)C(C(=O)OC)NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F

InChI

InChI=1S/C20H17ClFN3O3/c1-11(26)18(20(27)28-2)25-17-10-23-19(13-5-3-4-6-15(13)22)14-9-12(21)7-8-16(14)24-17/h3-9,18H,10H2,1-2H3,(H,24,25)