N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]quinoline-8-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]quinoline-8-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]quinoline-8-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-8-quinolinecarboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]quinoline-8-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]quinoline-8-carboxamide Formula: C29H24ClFN4O2 MolecularWeight: 514.977863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CC3=C(C=C(C=C3)F)Cl)C(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CC3=C(C=C(C=C3)F)Cl)C(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H24ClFN4O2/c1-19-25(29(37)35(33(19)2)23-10-4-3-5-11-23)18-34(17-21-13-14-22(31)16-26(21)30)28(36)24-12-6-8-20-9-7-15-32-27(20)24/h3-16H,17-18H2,1-2H3