[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone

Systemtic Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone Openeye Name: [7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(tetrahydropyran-4-ylamino)-1-piperidyl]methanone CAS Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(4-oxanylamino)-1-piperidinyl]methanone IUPAC Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone Traditional Name: [7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]-[4-(tetrahydropyran-4-ylamino)piperidino]methanone 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)N4CCC(CC4)NC5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)N4CCC(CC4)NC5CCOCC5

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)30-13-8-25(9-14-30)29-26-11-15-32-16-12-26/h2-7,18-19,25-26,29H,8-17H2,1H3