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

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] heptanoate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C22H22BrClN2O3 MolecularWeight: 477.77868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrClN2O3/c1-2-3-4-5-10-19(27)29-22-21(28)25-18-12-11-14(23)13-16(18)20(26-22)15-8-6-7-9-17(15)24/h6-9,11-13,22H,2-5,10H2,1H3,(H,25,28)