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

Systemtic Name: bis(2-methylpropyl) 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 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(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 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 diisobutyl ester Formula: C33H38BrN3O5 MolecularWeight: 636.57592

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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)OC)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)OC)Br)C4=CC=CC=C4)C(=O)OCC(C)C

InChI

InChI=1S/C33H38BrN3O5/c1-19(2)17-41-32(38)28-21(5)35-22(6)29(33(39)42-18-20(3)4)30(28)25-16-37(24-11-9-8-10-12-24)36-31(25)23-13-14-27(40-7)26(34)15-23/h8-16,19-20,30,35H,17-18H2,1-7H3