(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-N-veratryl-acrylamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NCC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NCC2=CC(=C(C=C2)OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15-18(22(23)26(25-15)17-7-5-4-6-8-17)10-12-21(27)24-14-16-9-11-19(28-2)20(13-16)29-3/h4-13H,14H2,1-3H3,(H,24,27)/b12-10+