[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pentan-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pentan-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(1-methylbutyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pentan-2-yl-1-piperazinyl)methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pentan-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(1-methylbutyl)piperazino]methanone Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-5-6-17(4)24-9-11-25(12-10-24)21(26)20-14-19(22-23-20)18-8-7-15(2)16(3)13-18/h7-8,13-14,17H,5-6,9-12H2,1-4H3,(H,22,23)