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

Systemtic Name: 4-chloranyl-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]pyrazole CAS Name: 4-chloro-3,5-bis(1,3-dimethyl-4-pyrazolyl)-1-[(4-methoxyphenyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)-1-p-anisyl-pyrazole Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=C(C(=NN2CC3=CC=C(C=C3)OC)C4=CN(N=C4C)C)Cl)C

Isomeric SMILES

CC1=NN(C=C1C2=C(C(=NN2CC3=CC=C(C=C3)OC)C4=CN(N=C4C)C)Cl)C

InChI

InChI=1S/C21H23ClN6O/c1-13-17(11-26(3)23-13)20-19(22)21(18-12-27(4)24-14(18)2)28(25-20)10-15-6-8-16(29-5)9-7-15/h6-9,11-12H,10H2,1-5H3