4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole

Systemtic Name: 4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole CAS Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-(2,5-dimethylbenzyl)pyrazole Formula: C28H29ClN2O4 MolecularWeight: 492.99386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=C(C(=N2)C3=CC(=C(C=C3)OC)OC)Cl)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=C(C(=N2)C3=CC(=C(C=C3)OC)OC)Cl)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29ClN2O4/c1-17-7-8-18(2)21(13-17)16-31-28(20-10-12-23(33-4)25(15-20)35-6)26(29)27(30-31)19-9-11-22(32-3)24(14-19)34-5/h7-15H,16H2,1-6H3