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

Systemtic Name: [(3R)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] 2-propylpentanoate Openeye Name: [(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: [(3R)-7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [(3R)-7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C23H24BrClN2O3 MolecularWeight: 491.80526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(CCC)C(=O)O[C@@H]1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H24BrClN2O3/c1-3-7-14(8-4-2)23(29)30-22-21(28)26-19-12-11-15(24)13-17(19)20(27-22)16-9-5-6-10-18(16)25/h5-6,9-14,22H,3-4,7-8H2,1-2H3,(H,26,28)/t22-/m1/s1