3-[(E)-3-phenylprop-2-enyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[(E)-3-phenylprop-2-enyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[(E)-cinnamyl]-7-[3-(1-piperidyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[(E)-3-phenylprop-2-enyl]-7-[3-(1-piperidinyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[(E)-3-phenylprop-2-enyl]-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[(E)-cinnamyl]-7-(3-piperidinopropoxy)-1,2,4,5-tetrahydro-3-benzazepine Formula: C27H36N2O MolecularWeight: 404.58754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)CC=CC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)C/C=C/C4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H36N2O/c1-3-9-24(10-4-1)11-7-18-29-20-14-25-12-13-27(23-26(25)15-21-29)30-22-8-19-28-16-5-2-6-17-28/h1,3-4,7,9-13,23H,2,5-6,8,14-22H2/b11-7+