4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]quinolin-3-yl]butan-2-one

Systemtic Name: 4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]quinolin-3-yl]butan-2-one Openeye Name: 4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]-3-quinolyl]butan-2-one CAS Name: 4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]-3-quinolinyl]-2-butanone IUPAC Name: 4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]quinolin-3-yl]butan-2-one Traditional Name: 4-[2-methyl-4-[3-(1H-pyrazol-5-yl)phenyl]-3-quinolyl]butan-2-one Formula: C23H21N3O MolecularWeight: 355.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CCC(=O)C)C3=CC(=CC=C3)C4=CC=NN4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CCC(=O)C)C3=CC(=CC=C3)C4=CC=NN4

InChI

InChI=1S/C23H21N3O/c1-15(27)10-11-19-16(2)25-22-9-4-3-8-20(22)23(19)18-7-5-6-17(14-18)21-12-13-24-26-21/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)