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

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C32H32N2O3 MolecularWeight: 492.60808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C#CC4=CC=CC=C4)OCC2)C5CCOCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C#CC4=CC=CC=C4)OCC2)C5CCOCC5

InChI

InChI=1S/C32H32N2O3/c1-34(30-16-18-36-19-17-30)23-26-9-12-29(13-10-26)33-32(35)27-15-20-37-31-14-11-25(21-28(31)22-27)8-7-24-5-3-2-4-6-24/h2-6,9-14,21-22,30H,15-20,23H2,1H3,(H,33,35)