4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole

Systemtic Name: 4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole Openeye Name: 4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole CAS Name: 4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole IUPAC Name: 4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole Traditional Name: 4-(chloromethyl)-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole Formula: C18H17ClN2 MolecularWeight: 296.79398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CCl)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CCl)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17ClN2/c1-13-8-9-15(10-14(13)2)18-16(11-19)12-21(20-18)17-6-4-3-5-7-17/h3-10,12H,11H2,1-2H3