1-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione

Systemtic Name: 1-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione Openeye Name: 1-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-4-(p-tolyl)butane-1,4-dione CAS Name: 1-(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)-4-(4-methylphenyl)butane-1,4-dione IUPAC Name: 1-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione Traditional Name: 1-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)-4-(p-tolyl)butane-1,4-dione Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)C2=NN(C(=C2)C(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)C2=NN(C(=C2)C(C)C)C(C)(C)C

InChI

InChI=1S/C21H28N2O2/c1-14(2)18-13-17(22-23(18)21(4,5)6)20(25)12-11-19(24)16-9-7-15(3)8-10-16/h7-10,13-14H,11-12H2,1-6H3