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

Systemtic Name: (E)-N-butyl-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-N-butyl-2-cyano-acrylamide Formula: C19H21ClN4O MolecularWeight: 356.84924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=C(N(N=C1C)CC2=CC=CC=C2)Cl)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=C(N(N=C1C)CC2=CC=CC=C2)Cl)/C#N

InChI

InChI=1S/C19H21ClN4O/c1-3-4-10-22-19(25)16(12-21)11-17-14(2)23-24(18(17)20)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,13H2,1-2H3,(H,22,25)/b16-11+