7-(4-bromanyl-2-phenyl-butanoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde

Systemtic Name: 7-(4-bromanyl-2-phenyl-butanoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Openeye Name: 7-(4-bromo-2-phenyl-butanoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde CAS Name: 7-(4-bromo-1-oxo-2-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxaldehyde IUPAC Name: 7-(4-bromo-2-phenylbutanoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Traditional Name: 7-(4-bromo-2-phenyl-butanoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carbaldehyde Formula: C21H22BrNO2 MolecularWeight: 400.30888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC(=C2)C(=O)C(CCBr)C3=CC=CC=C3)C=O

Isomeric SMILES

C1CN(CCC2=C1C=CC(=C2)C(=O)C(CCBr)C3=CC=CC=C3)C=O

InChI

InChI=1S/C21H22BrNO2/c22-11-8-20(17-4-2-1-3-5-17)21(25)19-7-6-16-9-12-23(15-24)13-10-18(16)14-19/h1-7,14-15,20H,8-13H2