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

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-azanylbutanoate hydrobromide Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide CAS Name: 4-aminobutanoic acid [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester hydrobromide IUPAC Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide Traditional Name: 4-aminobutyric acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester hydrobromide Formula: C19H18Br2ClN3O3 MolecularWeight: 531.62552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCN)Cl.Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCN)Cl.Br

InChI

InChI=1S/C19H17BrClN3O3.BrH/c20-11-7-8-15-13(10-11)17(12-4-1-2-5-14(12)21)24-19(18(26)23-15)27-16(25)6-3-9-22;/h1-2,4-5,7-8,10,19H,3,6,9,22H2,(H,23,26);1H