methyl 4-[2-oxidanylidene-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-1-propan-2-yl-piperidine-3-carboxylate

Systemtic Name: methyl 4-[2-oxidanylidene-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-1-propan-2-yl-piperidine-3-carboxylate Openeye Name: methyl 1-isopropyl-4-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]piperidine-3-carboxylate CAS Name: 4-[2-oxo-3-[[6-(trifluoromethyl)-4-quinazolinyl]amino]-1-pyrrolidinyl]-1-propan-2-yl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-1-propan-2-ylpiperidine-3-carboxylate Traditional Name: 1-isopropyl-4-[2-keto-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidino]nipecotic acid methyl ester Formula: C23H28F3N5O3 MolecularWeight: 479.49533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C(C1)C(=O)OC)N2CCC(C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)N1CCC(C(C1)C(=O)OC)N2CCC(C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H28F3N5O3/c1-13(2)30-8-7-19(16(11-30)22(33)34-3)31-9-6-18(21(31)32)29-20-15-10-14(23(24,25)26)4-5-17(15)27-12-28-20/h4-5,10,12-13,16,18-19H,6-9,11H2,1-3H3,(H,27,28,29)