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

Systemtic Name: 3-cyanopropyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid 3-cyanopropyl ester Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCCCC#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)/C=C/C(=O)OCCCC#N

InChI

InChI=1S/C19H20ClN3O2/c1-14-17(9-10-19(24)25-12-6-5-11-21)15(2)23(22-14)13-16-7-3-4-8-18(16)20/h3-4,7-10H,5-6,12-13H2,1-2H3/b10-9+