(E)-1-[2,6-bis(fluoranyl)phenyl]-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-[2,6-bis(fluoranyl)phenyl]-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-(2,6-difluorophenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one Formula: C21H17ClF2N2O MolecularWeight: 386.822286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)C3=C(C=CC=C3F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)C3=C(C=CC=C3F)F)Cl

InChI

InChI=1S/C21H17ClF2N2O/c1-13-6-8-15(9-7-13)12-26-21(22)16(14(2)25-26)10-11-19(27)20-17(23)4-3-5-18(20)24/h3-11H,12H2,1-2H3/b11-10+