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

Systemtic Name: 7-(4-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-(p-tolyl)-N-(1-tetrahydropyran-4-yl-4-piperidyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[1-(4-oxanyl)-4-piperidinyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-(p-tolyl)-N-(1-tetrahydropyran-4-yl-4-piperidyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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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)C5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)C5CCOCC5

InChI

InChI=1S/C28H34N2O3/c1-20-2-4-21(5-3-20)22-6-7-27-24(18-22)19-23(10-17-33-27)28(31)29-25-8-13-30(14-9-25)26-11-15-32-16-12-26/h2-7,18-19,25-26H,8-17H2,1H3,(H,29,31)