8-bromanyl-7-methoxy-5-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 8-bromanyl-7-methoxy-5-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 8-bromo-3-[(E)-cinnamyl]-7-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 8-bromo-7-methoxy-5-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 8-bromo-7-methoxy-5-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 8-bromo-3-[(E)-cinnamyl]-7-methoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C26H26BrNO MolecularWeight: 448.39474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC=CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)C/C=C/C4=CC=CC=C4)Br

InChI

InChI=1S/C26H26BrNO/c1-29-26-18-23-22(17-25(26)27)14-16-28(15-8-11-20-9-4-2-5-10-20)19-24(23)21-12-6-3-7-13-21/h2-13,17-18,24H,14-16,19H2,1H3/b11-8+