8-[(oxan-4-ylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

Systemtic Name: 8-[(oxan-4-ylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(tetrahydropyran-4-ylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(4-oxanylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(oxan-4-ylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(tetrahydropyran-4-ylmethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNCC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N

Isomeric SMILES

C1COCCC1CNCC2=CC3=C(C=C2)OC4=C(CC3)C=C(C=C4)C(=O)N

InChI

InChI=1S/C22H26N2O3/c23-22(25)19-4-6-21-18(12-19)3-2-17-11-16(1-5-20(17)27-21)14-24-13-15-7-9-26-10-8-15/h1,4-6,11-12,15,24H,2-3,7-10,13-14H2,(H2,23,25)