[1-[(2-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: 1-[(2-fluorophenyl)carbamoyl]propyl 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [1-(2-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxobutan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid 1-[(2-fluorophenyl)carbamoyl]propyl ester Formula: C33H28FN3O3 MolecularWeight: 533.592123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H28FN3O3/c1-4-29(32(38)37-26-8-6-5-7-25(26)34)40-33(39)24-17-18-27-28(19-24)36-31(23-15-11-21(3)12-16-23)30(35-27)22-13-9-20(2)10-14-22/h5-19,29H,4H2,1-3H3,(H,37,38)