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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC(=CC=C2)OC)Cl)CC(C)C

InChI

InChI=1S/C18H21ClN2O2/c1-12(2)11-21-18(19)16(13(3)20-21)8-9-17(22)14-6-5-7-15(10-14)23-4/h5-10,12H,11H2,1-4H3/b9-8+