tert-butyl 7-chloranyl-1-methyl-2-oxidanylidene-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-1-methyl-2-oxidanylidene-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7-chloro-3-isopropyl-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-chloro-3-isopropyl-2-keto-1-methyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl)C

Isomeric SMILES

CC(C)C1C(=O)N(C2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl)C

InChI

InChI=1S/C18H25ClN2O3/c1-11(2)15-16(22)20(6)14-8-7-13(19)9-12(14)10-21(15)17(23)24-18(3,4)5/h7-9,11,15H,10H2,1-6H3