ethyl 2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-(1-methyl-4-piperidyl)-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate CAS Name: 2-(1-methyl-4-piperidinyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-methylpiperidin-4-yl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-(1-methyl-4-piperidyl)-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H26F3N3O2 MolecularWeight: 457.48805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C4CCN(CC4)C

InChI

InChI=1S/C25H26F3N3O2/c1-3-33-24(32)21-20(16-7-11-29-12-8-16)23(18-5-4-6-19(15-18)25(26,27)28)30-22(21)17-9-13-31(2)14-10-17/h4-8,11-12,15,17,30H,3,9-10,13-14H2,1-2H3