tert-butyl (3R)-7-bromanyl-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl (3R)-7-bromanyl-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl (3R)-7-bromo-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-7-bromo-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-7-bromo-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-7-bromo-1-(3-fluorobenzyl)-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C23H25BrFNO4 MolecularWeight: 478.351303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2N(C1=O)CC3=CC(=CC=C3)F)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC2=CC(=C(C=C2N(C1=O)CC3=CC(=CC=C3)F)OC)Br

InChI

InChI=1S/C23H25BrFNO4/c1-23(2,3)30-22(28)17-9-8-15-11-18(24)20(29-4)12-19(15)26(21(17)27)13-14-6-5-7-16(25)10-14/h5-7,10-12,17H,8-9,13H2,1-4H3/t17-/m1/s1