1-[4-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazino]-2-ethyl-butan-1-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H30N4O2/c1-5-17(6-2)21(27)25-9-11-26(12-10-25)22(28)20-14-19(23-24-20)18-8-7-15(3)16(4)13-18/h7-8,13-14,17H,5-6,9-12H2,1-4H3,(H,23,24)