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

Systemtic Name: (4S,7R)-N-(3-fluorophenyl)-2-methyl-5-oxidanylidene-4-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Openeye Name: (4S,7R)-N-(3-fluorophenyl)-2-methyl-5-oxo-4-(2-pyridyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide CAS Name: (4S,7R)-N-(3-fluorophenyl)-2-methyl-5-oxo-4-(2-pyridinyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide IUPAC Name: (4S,7R)-N-(3-fluorophenyl)-2-methyl-5-oxo-4-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Traditional Name: (4S,7R)-N-(3-fluorophenyl)-5-keto-2-methyl-4-(2-pyridyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Formula: C26H22FN3O2S MolecularWeight: 459.535183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)NC3=CC(=CC=C3)F)C4=CC=CC=N4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)NC3=CC(=CC=C3)F)C4=CC=CC=N4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C26H22FN3O2S/c1-15-23(26(32)30-18-7-4-6-17(27)14-18)25(19-8-2-3-10-28-19)24-20(29-15)12-16(13-21(24)31)22-9-5-11-33-22/h2-11,14,16,23,25H,12-13H2,1H3,(H,30,32)/t16-,23?,25+/m1/s1