N-[(4-fluorophenyl)methyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H19FN2O2S/c1-25-20(18-7-4-12-28-18)19(16-5-2-3-6-17(16)22(25)27)21(26)24-13-14-8-10-15(23)11-9-14/h2-12,19-20H,13H2,1H3,(H,24,26)