1-[1-[(3-chlorophenyl)methyl]-3-methyl-pyrazol-4-yl]pentane-1,3,4-trione

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]-3-methyl-pyrazol-4-yl]pentane-1,3,4-trione Openeye Name: 1-[1-[(3-chlorophenyl)methyl]-3-methyl-pyrazol-4-yl]pentane-1,3,4-trione CAS Name: 1-[1-[(3-chlorophenyl)methyl]-3-methyl-4-pyrazolyl]pentane-1,3,4-trione IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrazol-4-yl]pentane-1,3,4-trione Traditional Name: 1-[1-(3-chlorobenzyl)-3-methyl-pyrazol-4-yl]pentane-1,3,4-trione Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)CC(=O)C(=O)C)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=NN(C=C1C(=O)CC(=O)C(=O)C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H15ClN2O3/c1-10-14(16(22)7-15(21)11(2)20)9-19(18-10)8-12-4-3-5-13(17)6-12/h3-6,9H,7-8H2,1-2H3