4-butyl-1,2-diphenyl-5-pyridin-3-ylcarbonyl-pyrazol-3-one

Systemtic Name: 4-butyl-1,2-diphenyl-5-pyridin-3-ylcarbonyl-pyrazol-3-one Openeye Name: 4-butyl-1,2-diphenyl-5-(pyridine-3-carbonyl)pyrazol-3-one CAS Name: 4-butyl-5-[oxo(3-pyridinyl)methyl]-1,2-diphenyl-3-pyrazolone IUPAC Name: 4-butyl-1,2-diphenyl-5-(pyridine-3-carbonyl)pyrazol-3-one Traditional Name: 4-butyl-5-nicotinoyl-1,2-diphenyl-3-pyrazolin-3-one Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-2-3-16-22-23(24(29)19-11-10-17-26-18-19)27(20-12-6-4-7-13-20)28(25(22)30)21-14-8-5-9-15-21/h4-15,17-18H,2-3,16H2,1H3