[4-(trifluoromethyl)phenyl]methyl (6S,9aS)-6-(4-azanylbutyl)-8-[(4-fluorophenyl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl (6S,9aS)-6-(4-azanylbutyl)-8-[(4-fluorophenyl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Openeye Name: [4-(trifluoromethyl)phenyl]methyl (6S,9aS)-6-(4-aminobutyl)-8-[(4-fluorophenyl)methyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate CAS Name: (6S,9aS)-6-(4-aminobutyl)-8-[(4-fluorophenyl)methyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl (6S,9aS)-6-(4-aminobutyl)-8-[(4-fluorophenyl)methyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Traditional Name: (6S,9aS)-6-(4-aminobutyl)-8-(4-fluorobenzyl)-4,7-diketo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid [4-(trifluoromethyl)benzyl] ester Formula: C27H30F4N4O4 MolecularWeight: 550.545113

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2CN(C(=O)C(N2C1=O)CCCCN)CC3=CC=C(C=C3)F)C(=O)OCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN([C@H]2CN(C(=O)[C@@H](N2C1=O)CCCCN)CC3=CC=C(C=C3)F)C(=O)OCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H30F4N4O4/c28-21-10-6-18(7-11-21)15-33-16-23-34(14-12-24(36)35(23)22(25(33)37)3-1-2-13-32)26(38)39-17-19-4-8-20(9-5-19)27(29,30)31/h4-11,22-23H,1-3,12-17,32H2/t22-,23+/m0/s1