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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-pyridyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-pyridin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(4-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=CC=NC=C4)OCC2)C5CCOCC5

Isomeric SMILES

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

InChI

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