diethyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN(N=C2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4)C(=O)OCC)C)C

InChI

InChI=1S/C30H33N3O4/c1-7-36-29(34)25-20(5)31-21(6)26(30(35)37-8-2)27(25)24-17-33(22-12-10-9-11-13-22)32-28(24)23-16-18(3)14-15-19(23)4/h9-17,27,31H,7-8H2,1-6H3