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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methyl-2-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-hydroxy-4-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-N-(2-hydroxy-4-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-hydroxy-4-methyl-phenyl)acrylamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)O

InChI

InChI=1S/C21H20ClN3O2/c1-14-8-10-18(19(26)12-14)23-20(27)11-9-17-15(2)24-25(21(17)22)13-16-6-4-3-5-7-16/h3-12,26H,13H2,1-2H3,(H,23,27)/b11-9+