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

Systemtic Name: 3-cyanopropyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 3-cyanopropyl (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-cyanopropyl ester IUPAC Name: 3-cyanopropyl (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-cyanopropyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCCCC#N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCCCC#N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H18ClN3O2/c1-14-16(9-10-17(23)24-12-6-5-11-20)18(19)22(21-14)13-15-7-3-2-4-8-15/h2-4,7-10H,5-6,12-13H2,1H3/b10-9+