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

Systemtic Name: N-[[methyl(oxan-4-yl)amino]methyl]-N-phenyl-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-[[methyl(tetrahydropyran-4-yl)amino]methyl]-N-phenyl-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[[methyl(4-oxanyl)amino]methyl]-N-phenyl-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-[[methyl(oxan-4-yl)amino]methyl]-N-phenyl-7-(2-phenylethynyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-[[methyl(tetrahydropyran-4-yl)amino]methyl]-N-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(CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C#CC4=CC=CC=C4)OCC2)C5CCOCC5

Isomeric SMILES

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

InChI

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