(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-[3-(methoxymethyl)-4-oxidanyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-[3-(methoxymethyl)-4-oxidanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-[4-hydroxy-3-(methoxymethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-[4-hydroxy-3-(methoxymethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-[4-hydroxy-3-(methoxymethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-[4-hydroxy-3-(methoxymethyl)phenyl]prop-2-en-1-one Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-14-18(21(22)24(23-14)17-6-4-3-5-7-17)9-11-19(25)15-8-10-20(26)16(12-15)13-27-2/h3-12,26H,13H2,1-2H3/b11-9+