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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3-pyridyl)prop-2-en-1-one Formula: C19H16ClN3O MolecularWeight: 337.80284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CN=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CN=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O/c1-14-17(9-10-18(24)16-8-5-11-21-12-16)19(20)23(22-14)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3/b10-9+