(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethynylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethynylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(3-ethynylphenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(3-ethynylphenyl)-2-propenamide IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethynylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(3-ethynylphenyl)acrylamide Formula: C19H20ClN3O MolecularWeight: 341.8346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC(=C2)C#C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=CC(=C2)C#C)Cl)CC(C)C

InChI

InChI=1S/C19H20ClN3O/c1-5-15-7-6-8-16(11-15)21-18(24)10-9-17-14(4)22-23(19(17)20)12-13(2)3/h1,6-11,13H,12H2,2-4H3,(H,21,24)/b10-9+