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

Systemtic Name: propyl 1-[4-[[8-azanyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C31H30F3N5O3 MolecularWeight: 577.59681

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C31H30F3N5O3/c1-2-16-42-30(41)21-12-14-39(15-13-21)29(40)20-8-10-23(11-9-20)36-28-26(19-6-4-3-5-7-19)37-25-18-22(31(32,33)34)17-24(35)27(25)38-28/h3-11,17-18,21H,2,12-16,35H2,1H3,(H,36,38)