butyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: butyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-cyano-acrylic acid butyl ester Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=C(N(N=C1C)CC2=CC=CC=C2Cl)C)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C)/C#N

InChI

InChI=1S/C20H22ClN3O2/c1-4-5-10-26-20(25)17(12-22)11-18-14(2)23-24(15(18)3)13-16-8-6-7-9-19(16)21/h6-9,11H,4-5,10,13H2,1-3H3/b17-11+