7-(4-methylphenyl)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H36N2O2 MolecularWeight: 480.64044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H36N2O2/c1-24-7-9-27(10-8-24)28-11-12-31-30(21-28)22-29(16-20-36-31)32(35)33-17-13-25-14-18-34(19-15-25)23-26-5-3-2-4-6-26/h2-12,21-22,25H,13-20,23H2,1H3,(H,33,35)