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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-3-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(3-pyridyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-(3-pyridinyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-3-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(3-pyridyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CN=CC=C4)OCC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CN=CC=C4)OCC2)C5CCOCC5

InChI

InChI=1S/C29H31N3O3/c1-32(27-11-14-34-15-12-27)20-21-4-7-26(8-5-21)31-29(33)23-10-16-35-28-9-6-22(17-25(28)18-23)24-3-2-13-30-19-24/h2-9,13,17-19,27H,10-12,14-16,20H2,1H3,(H,31,33)