propan-2-yl (E)-3-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[5-chloro-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]-2-cyano-acrylic acid isopropyl ester Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)OC(C)C)Cl)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)OC(C)C)Cl)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H20ClN3O2/c1-14(2)28-22(27)18(12-24)11-20-15(3)25-26(21(20)23)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-11,14H,13H2,1-3H3/b18-11+