3-cyanopropyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-cyanopropyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid 3-cyanopropyl ester Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCCCC#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCCCC#N)Cl

InChI

InChI=1S/C19H20ClN3O2/c1-14-5-7-16(8-6-14)13-23-19(20)17(15(2)22-23)9-10-18(24)25-12-4-3-11-21/h5-10H,3-4,12-13H2,1-2H3/b10-9+