[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] hexanoate

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] hexanoate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] hexanoate CAS Name: hexanoic acid [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] hexanoate Traditional Name: hexanoic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C21H20BrClN2O3 MolecularWeight: 463.7521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20BrClN2O3/c1-2-3-4-9-18(26)28-21-20(27)24-17-11-10-13(22)12-15(17)19(25-21)14-7-5-6-8-16(14)23/h5-8,10-12,21H,2-4,9H2,1H3,(H,24,27)