4-chloranyl-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methylphenyl)methyl]pyrazole

Systemtic Name: 4-chloranyl-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methylphenyl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(p-tolylmethyl)pyrazole CAS Name: 4-chloro-3,5-bis(1,3-dimethyl-4-pyrazolyl)-1-[(4-methylphenyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methylphenyl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-methylbenzyl)pyrazole Formula: C21H23ClN6 MolecularWeight: 394.90052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CN(N=C3C)C)Cl)C4=CN(N=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CN(N=C3C)C)Cl)C4=CN(N=C4C)C

InChI

InChI=1S/C21H23ClN6/c1-13-6-8-16(9-7-13)10-28-21(18-12-27(5)24-15(18)3)19(22)20(25-28)17-11-26(4)23-14(17)2/h6-9,11-12H,10H2,1-5H3