N-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-4-piperidyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[1-[[(1E)-1-cyclooctenyl]methyl]-4-piperidinyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-4-piperidyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H40N2O2 MolecularWeight: 484.6722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)CC5=CCCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)C/C/5=C/CCCCCC5

InChI

InChI=1S/C32H40N2O2/c1-24-9-11-26(12-10-24)27-13-14-31-29(21-27)22-28(17-20-36-31)32(35)33-30-15-18-34(19-16-30)23-25-7-5-3-2-4-6-8-25/h7,9-14,21-22,30H,2-6,8,15-20,23H2,1H3,(H,33,35)/b25-7+