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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-pyridyl)prop-2-en-1-one Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O/c1-11(2)10-20-16(17)14(12(3)19-20)6-7-15(21)13-5-4-8-18-9-13/h4-9,11H,10H2,1-3H3/b7-6+