4-chloranyl-3,5-bis(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole

Systemtic Name: 4-chloranyl-3,5-bis(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole Openeye Name: 1-benzyl-4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazole CAS Name: 4-chloro-3,5-bis(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole IUPAC Name: 1-benzyl-4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazole Traditional Name: 1-benzyl-4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazole Formula: C26H25ClN2 MolecularWeight: 400.9431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=CC=C3)C4=CC(=C(C=C4)C)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=CC=C3)C4=CC(=C(C=C4)C)C)Cl)C

InChI

InChI=1S/C26H25ClN2/c1-17-10-12-22(14-19(17)3)25-24(27)26(23-13-11-18(2)20(4)15-23)29(28-25)16-21-8-6-5-7-9-21/h5-15H,16H2,1-4H3