N-[4-[[methyl(3-oxidanylpropyl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[4-[[methyl(3-oxidanylpropyl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)CCCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)CCCO

InChI

InChI=1S/C29H32N2O3/c1-21-4-8-23(9-5-21)24-10-13-28-26(18-24)19-25(14-17-34-28)29(33)30-27-11-6-22(7-12-27)20-31(2)15-3-16-32/h4-13,18-19,32H,3,14-17,20H2,1-2H3,(H,30,33)