methyl 6-[4-(4-propan-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-propan-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-isopropylpiperazine-1-carbonyl)-1-piperidyl]-4-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]-1-piperidinyl]-4-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(4-isopropylpiperazine-1-carbonyl)piperidino]-4-(trifluoromethyl)nicotinic acid methyl ester Formula: C21H29F3N4O3 MolecularWeight: 442.47517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C(=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C(=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H29F3N4O3/c1-14(2)26-8-10-28(11-9-26)19(29)15-4-6-27(7-5-15)18-12-17(21(22,23)24)16(13-25-18)20(30)31-3/h12-15H,4-11H2,1-3H3