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

Systemtic Name: ditert-butyl 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 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 ditert-butyl ester IUPAC Name: ditert-butyl 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 ditert-butyl 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)OC(C)(C)C)C2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H38BrN3O5/c1-19-26(30(38)41-32(3,4)5)28(27(20(2)35-19)31(39)42-33(6,7)8)23-18-37(22-13-11-10-12-14-22)36-29(23)21-15-16-25(40-9)24(34)17-21/h10-18,28,35H,1-9H3