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

Systemtic Name: bis(phenylmethyl) 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C39H34N4O7 MolecularWeight: 670.70986

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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)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C39H34N4O7/c1-25-34(38(44)49-23-27-13-7-4-8-14-27)36(35(26(2)40-25)39(45)50-24-28-15-9-5-10-16-28)31-22-42(30-17-11-6-12-18-30)41-37(31)29-19-20-33(48-3)32(21-29)43(46)47/h4-22,36,40H,23-24H2,1-3H3