2-(4-methoxyphenyl)-9-oxidanyl-8-thiophen-2-ylcarbonyl-7-(trifluoromethyl)-6,9-dihydropyrido[3,2-c]azepin-5-one

Systemtic Name: 2-(4-methoxyphenyl)-9-oxidanyl-8-thiophen-2-ylcarbonyl-7-(trifluoromethyl)-6,9-dihydropyrido[3,2-c]azepin-5-one Openeye Name: 9-hydroxy-2-(4-methoxyphenyl)-8-(thiophene-2-carbonyl)-7-(trifluoromethyl)-6,9-dihydropyrido[3,2-c]azepin-5-one CAS Name: 9-hydroxy-2-(4-methoxyphenyl)-8-[oxo(thiophen-2-yl)methyl]-7-(trifluoromethyl)-6,9-dihydropyrido[3,2-c]azepin-5-one IUPAC Name: 9-hydroxy-2-(4-methoxyphenyl)-8-(thiophene-2-carbonyl)-7-(trifluoromethyl)-6,9-dihydropyrido[3,2-c]azepin-5-one Traditional Name: 9-hydroxy-2-(4-methoxyphenyl)-8-(2-thenoyl)-7-(trifluoromethyl)-6,9-dihydropyrid[3,2-c]azepin-5-one Formula: C22H15F3N2O4S MolecularWeight: 460.42571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=O)NC(=C(C3O)C(=O)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=O)NC(=C(C3O)C(=O)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C22H15F3N2O4S/c1-31-12-6-4-11(5-7-12)14-9-8-13-17(26-14)19(29)16(18(28)15-3-2-10-32-15)20(22(23,24)25)27-21(13)30/h2-10,19,29H,1H3,(H,27,30)