4-[(2-chlorophenyl)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one Openeye Name: 4-[(2-chlorophenyl)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one CAS Name: 4-[(2-chlorophenyl)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-methyl-5-propyl-1H-pyrazol-3-one Traditional Name: 4-(2-chlorobenzyl)-2-methyl-5-propyl-3-pyrazolin-3-one Formula: C14H17ClN2O MolecularWeight: 264.75058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)CC2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN2O/c1-3-6-13-11(14(18)17(2)16-13)9-10-7-4-5-8-12(10)15/h4-5,7-8,16H,3,6,9H2,1-2H3