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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCCCOC)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C19H21ClN4O2/c1-14-17(11-16(12-21)19(25)22-9-6-10-26-2)18(20)24(23-14)13-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,13H2,1-2H3,(H,22,25)/b16-11+