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

Systemtic Name: 4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-ethenylphenyl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-vinylphenyl)methyl]pyrazole CAS Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-ethenylphenyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-ethenylphenyl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-(4-vinylbenzyl)pyrazole Formula: C28H27ClN2O4 MolecularWeight: 490.97798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(C=C3)C=C)C4=CC(=C(C=C4)OC)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(C=C3)C=C)C4=CC(=C(C=C4)OC)OC)Cl)OC

InChI

InChI=1S/C28H27ClN2O4/c1-6-18-7-9-19(10-8-18)17-31-28(21-12-14-23(33-3)25(16-21)35-5)26(29)27(30-31)20-11-13-22(32-2)24(15-20)34-4/h6-16H,1,17H2,2-5H3