tert-butyl 9-bromanyl-6-oxidanylidene-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylate

Systemtic Name: tert-butyl 9-bromanyl-6-oxidanylidene-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylate Openeye Name: tert-butyl 9-bromo-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylate CAS Name: 9-bromo-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-bromo-6-oxo-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylate Traditional Name: 9-bromo-6-keto-5,7-dihydroindolo[3,2-d][1]benzazepine-12-carboxylic acid tert-butyl ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C3=C1C4=CC=CC=C4NC(=O)C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C3=C1C4=CC=CC=C4NC(=O)C3

InChI

InChI=1S/C21H19BrN2O3/c1-21(2,3)27-20(26)24-17-9-8-12(22)10-14(17)15-11-18(25)23-16-7-5-4-6-13(16)19(15)24/h4-10H,11H2,1-3H3,(H,23,25)