diethyl (3R)-5-[(4-cyanophenyl)methyl]-3-methyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate

Systemtic Name: diethyl (3R)-5-[(4-cyanophenyl)methyl]-3-methyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate Openeye Name: diethyl (3R)-5-[(4-cyanophenyl)methyl]-3-methyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate CAS Name: (3R)-5-[(4-cyanophenyl)methyl]-3-methyl-4-pentyl-3H-pyrazole-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R)-5-[(4-cyanophenyl)methyl]-3-methyl-4-pentyl-3H-pyrazole-1,2-dicarboxylate Traditional Name: (5R)-4-amyl-3-(4-cyanobenzyl)-5-methyl-3-pyrazoline-1,2-dicarboxylic acid diethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(N(C1C)C(=O)OCC)C(=O)OCC)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1=C(N(N([C@@H]1C)C(=O)OCC)C(=O)OCC)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H31N3O4/c1-5-8-9-10-20-17(4)25(22(27)29-6-2)26(23(28)30-7-3)21(20)15-18-11-13-19(16-24)14-12-18/h11-14,17H,5-10,15H2,1-4H3/t17-/m1/s1