1-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-N-(oxan-4-yl)piperidin-4-amine

Systemtic Name: 1-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-N-(oxan-4-yl)piperidin-4-amine Openeye Name: 1-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-N-tetrahydropyran-4-yl-piperidin-4-amine CAS Name: 1-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-N-(4-oxanyl)-4-piperidinamine IUPAC Name: 1-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-N-(oxan-4-yl)piperidin-4-amine Traditional Name: [1-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]-4-piperidyl]-tetrahydropyran-4-yl-amine Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)CN4CCC(CC4)NC5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)CN4CCC(CC4)NC5CCOCC5

InChI

InChI=1S/C28H36N2O2/c1-21-2-4-23(5-3-21)24-6-7-28-25(19-24)18-22(10-17-32-28)20-30-13-8-26(9-14-30)29-27-11-15-31-16-12-27/h2-7,18-19,26-27,29H,8-17,20H2,1H3