4-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one Openeye Name: 4-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methyl]-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one CAS Name: 4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: 4-(4-allyloxy-3-chloro-5-methoxy-benzyl)-2-(4-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=CC(=C(C(=C2)Cl)OCC=C)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1CC2=CC(=C(C(=C2)Cl)OCC=C)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20Cl2N2O3/c1-4-9-28-20-18(23)11-14(12-19(20)27-3)10-17-13(2)24-25(21(17)26)16-7-5-15(22)6-8-16/h4-8,11-12,17H,1,9-10H2,2-3H3