(E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxyphenyl)-1-(4-chloro-1-methyl-pyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chloro-1-methyl-3-pyrazolyl)-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxyphenyl)-1-(4-chloro-1-methyl-pyrazol-3-yl)prop-2-en-1-one Formula: C20H17ClN2O2 MolecularWeight: 352.81418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O2/c1-23-13-18(21)20(22-23)19(24)12-9-15-7-10-17(11-8-15)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b12-9+