3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzenecarbonitrile Openeye Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzonitrile CAS Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-4-pyrazolyl]benzonitrile IUPAC Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethylpyrazol-4-yl]benzonitrile Traditional Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzonitrile Formula: C20H18ClN3 MolecularWeight: 335.83002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCCl)C)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCCl)C)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18ClN3/c1-14-20(18-5-3-4-17(12-18)13-22)15(2)24(23-14)19-8-6-16(7-9-19)10-11-21/h3-9,12H,10-11H2,1-2H3