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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-morpholin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-morpholino-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-(4-morpholinyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-morpholin-4-yl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-morpholino-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N4CCOCC4)OCC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N4CCOCC4)OCC2)C5CCOCC5

InChI

InChI=1S/C28H35N3O4/c1-30(25-9-13-33-14-10-25)20-21-2-4-24(5-3-21)29-28(32)22-8-15-35-27-7-6-26(19-23(27)18-22)31-11-16-34-17-12-31/h2-7,18-19,25H,8-17,20H2,1H3,(H,29,32)