4-[3-[[4-[bis(fluoranyl)methyl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[3-[[4-[bis(fluoranyl)methyl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[3-[[4-(difluoromethyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]-2-methyl-5-oxo-N-(2-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[3-[[[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]thio]methyl]-4-methoxyphenyl]-2-methyl-5-oxo-N-(2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[3-[[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-4-methoxyphenyl]-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[3-[[[4-(difluoromethyl)-6-methyl-pyrimidin-2-yl]thio]methyl]-4-methoxy-phenyl]-5-keto-2-methyl-N-(2-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C30H29F2N5O3S MolecularWeight: 577.644766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)NC5=CC=CC=N5)C)OC)C(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)NC5=CC=CC=N5)C)OC)C(F)F

InChI

InChI=1S/C30H29F2N5O3S/c1-16-13-21(28(31)32)36-30(34-16)41-15-19-14-18(10-11-23(19)40-3)26-25(29(39)37-24-9-4-5-12-33-24)17(2)35-20-7-6-8-22(38)27(20)26/h4-5,9-14,26,28,35H,6-8,15H2,1-3H3,(H,33,37,39)