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

Systemtic Name: bis(prop-2-enyl) 4-[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diallyl 4-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 4-[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diallyl ester Formula: C31H30FN3O5 MolecularWeight: 543.585403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30FN3O5/c1-6-15-39-30(36)26-19(3)33-20(4)27(31(37)40-16-7-2)28(26)23-18-35(22-11-9-8-10-12-22)34-29(23)21-13-14-25(38-5)24(32)17-21/h6-14,17-18,28,33H,1-2,15-16H2,3-5H3