8-[(2-thiophen-2-ylethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

Systemtic Name: 8-[(2-thiophen-2-ylethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[[2-(2-thienyl)ethylamino]methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(2-thiophen-2-ylethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(2-thiophen-2-ylethylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[[2-(2-thienyl)ethylamino]methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCC4=CC=CS4

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCC4=CC=CS4

InChI

InChI=1S/C22H22N2O2S/c23-22(25)18-6-8-21-17(13-18)5-4-16-12-15(3-7-20(16)26-21)14-24-10-9-19-2-1-11-27-19/h1-3,6-8,11-13,24H,4-5,9-10,14H2,(H2,23,25)