butyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid butyl ester Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=C(N(N=C1C)C2=CC=CC=C2)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-4-5-11-24-19(23)16(13-20)12-18-14(2)21-22(15(18)3)17-9-7-6-8-10-17/h6-10,12H,4-5,11H2,1-3H3/b16-12+