tert-butyl 4-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxylate CAS Name: 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H26BrClN4O3 MolecularWeight: 533.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H26BrClN4O3/c1-24(2,3)33-23(32)30-12-10-29(11-13-30)21-22(31)27-19-9-8-15(25)14-17(19)20(28-21)16-6-4-5-7-18(16)26/h4-9,14,21H,10-13H2,1-3H3,(H,27,31)