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

Systemtic Name: bis(phenylmethyl) 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C38H32N4O6 MolecularWeight: 640.68388

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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(=CC=C4)[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(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C38H32N4O6/c1-25-33(37(43)47-23-27-13-6-3-7-14-27)35(34(26(2)39-25)38(44)48-24-28-15-8-4-9-16-28)32-22-41(30-18-10-5-11-19-30)40-36(32)29-17-12-20-31(21-29)42(45)46/h3-22,35,39H,23-24H2,1-2H3