ethyl (E)-2-cyano-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-cyano-acrylic acid ethyl ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-4-23-18(22)16(11-19)10-17-13(2)20-21(14(17)3)12-15-8-6-5-7-9-15/h5-10H,4,12H2,1-3H3/b16-10+