4-bromanyl-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole

Systemtic Name: 4-bromanyl-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole Openeye Name: 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole CAS Name: 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole IUPAC Name: 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole Traditional Name: 4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-m-anisyl-pyrazole Formula: C27H27BrN2O5 MolecularWeight: 539.41768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrN2O5/c1-31-20-8-6-7-17(13-20)16-30-27(19-10-12-22(33-3)24(15-19)35-5)25(28)26(29-30)18-9-11-21(32-2)23(14-18)34-4/h6-15H,16H2,1-5H3