methyl 1-[4-[[8-azanyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[8-azanyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]isonipecotic acid methyl ester Formula: C29H26F3N5O3 MolecularWeight: 549.54365

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4N)C(F)(F)F)N=C3C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4N)C(F)(F)F)N=C3C5=CC=CC=C5

InChI

InChI=1S/C29H26F3N5O3/c1-40-28(39)19-11-13-37(14-12-19)27(38)18-7-9-21(10-8-18)34-26-24(17-5-3-2-4-6-17)35-23-16-20(29(30,31)32)15-22(33)25(23)36-26/h2-10,15-16,19H,11-14,33H2,1H3,(H,34,36)