(E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]-1-phenyl-prop-2-en-1-one Formula: C21H19ClN2O MolecularWeight: 350.84136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O/c1-15-8-10-17(11-9-15)14-24-21(22)19(16(2)23-24)12-13-20(25)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3/b13-12+