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

Systemtic Name: 7-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C30H32N2O2 MolecularWeight: 452.58728

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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=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N2O2/c1-22-7-9-24(10-8-22)25-11-12-29-27(19-25)20-26(15-18-34-29)30(33)31-28-13-16-32(17-14-28)21-23-5-3-2-4-6-23/h2-12,19-20,28H,13-18,21H2,1H3,(H,31,33)