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

Systemtic Name: bis(2-methylpropyl) 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisobutyl ester Formula: C32H36BrN3O4 MolecularWeight: 606.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC(C)C

InChI

InChI=1S/C32H36BrN3O4/c1-19(2)17-39-31(37)27-21(5)34-22(6)28(32(38)40-18-20(3)4)29(27)26-16-36(25-10-8-7-9-11-25)35-30(26)23-12-14-24(33)15-13-23/h7-16,19-20,29,34H,17-18H2,1-6H3