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

Systemtic Name: N-[[methyl(oxan-4-yl)amino]methyl]-7-(4-methylphenyl)-N-phenyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[[methyl(tetrahydropyran-4-yl)amino]methyl]-N-phenyl-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[[methyl(4-oxanyl)amino]methyl]-7-(4-methylphenyl)-N-phenyl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[[methyl(oxan-4-yl)amino]methyl]-7-(4-methylphenyl)-N-phenyl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[[methyl(tetrahydropyran-4-yl)amino]methyl]-N-phenyl-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)N(CN(C)C4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)N(CN(C)C4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O3/c1-23-8-10-24(11-9-23)25-12-13-30-27(20-25)21-26(14-19-36-30)31(34)33(29-6-4-3-5-7-29)22-32(2)28-15-17-35-18-16-28/h3-13,20-21,28H,14-19,22H2,1-2H3