bis(phenylmethyl) 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C39H34BrN3O5 MolecularWeight: 704.60836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C39H34BrN3O5/c1-25-34(38(44)47-23-27-13-7-4-8-14-27)36(35(26(2)41-25)39(45)48-24-28-15-9-5-10-16-28)31-22-43(30-17-11-6-12-18-30)42-37(31)29-19-20-33(46-3)32(40)21-29/h4-22,36,41H,23-24H2,1-3H3