methyl 4-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]butanoate

Systemtic Name: methyl 4-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]butanoate Openeye Name: methyl 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoate CAS Name: 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoate Traditional Name: 4-[7-bromo-5-(2-chlorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]butyric acid methyl ester Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18BrClN2O3/c1-27-19(26)7-4-10-24-17-9-8-13(21)11-15(17)20(23-12-18(24)25)14-5-2-3-6-16(14)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3