butyl (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H19N3O2/c1-2-3-9-23-18(22)17(11-19)10-16-12-20-21(14-16)13-15-7-5-4-6-8-15/h4-8,10,12,14H,2-3,9,13H2,1H3/b17-10+