4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]benzonitrile Formula: C20H14ClN3O MolecularWeight: 347.79766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O/c1-14-18(20(21)24(23-14)17-5-3-2-4-6-17)11-12-19(25)16-9-7-15(13-22)8-10-16/h2-12H,1H3/b12-11+