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

Systemtic Name: (3-cyanophenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (3-cyanobenzyl) ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=CC(=C2)C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=CC(=C2)C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H18ClN3O2/c1-16-20(22(23)26(25-16)14-17-6-3-2-4-7-17)10-11-21(27)28-15-19-9-5-8-18(12-19)13-24/h2-12H,14-15H2,1H3/b11-10+