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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylamide Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O/c1-13(2)12-22-18(19)16(14(3)21-22)9-10-17(23)20-11-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,20,23)/b10-9+