4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C28H23FN2O4S MolecularWeight: 502.556623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C28H23FN2O4S/c1-15-25(28(33)31-19-7-5-18(29)6-8-19)26(16-4-9-22-23(13-16)35-14-34-22)27-20(30-15)11-17(12-21(27)32)24-3-2-10-36-24/h2-10,13,17,26,30H,11-12,14H2,1H3,(H,31,33)