4-[4-methyl-7-oxidanylidene-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[4-methyl-7-oxidanylidene-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-[4-methyl-7-oxo-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-8-pyrido[2,3-d]pyrimidinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-[4-methyl-7-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-[7-keto-4-methyl-2-(4-nicotinoylpiperazino)pyrido[2,3-d]pyrimidin-8-yl]-N-[4-(trifluoromethyl)benzyl]benzamide Formula: C33H28F3N7O3 MolecularWeight: 627.61573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C(=O)C4=CN=CC=C4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(F)(F)F

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)C(=O)C4=CN=CC=C4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C33H28F3N7O3/c1-21-27-12-13-28(44)43(26-10-6-23(7-11-26)30(45)38-19-22-4-8-25(9-5-22)33(34,35)36)29(27)40-32(39-21)42-17-15-41(16-18-42)31(46)24-3-2-14-37-20-24/h2-14,20H,15-19H2,1H3,(H,38,45)