N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-isobutylphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cinchoninamide Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C31H30N4O2/c1-20(2)18-22-14-16-23(17-15-22)28-19-26(25-12-8-9-13-27(25)32-28)30(36)33-29-21(3)34(4)35(31(29)37)24-10-6-5-7-11-24/h5-17,19-20H,18H2,1-4H3,(H,33,36)