[4-(trifluoromethyl)phenyl]methyl (6S,9aS)-6-(3-azanylpropyl)-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-(3-azanylpropyl)-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-(3-aminopropyl)-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-(3-aminopropyl)-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-(3-aminopropyl)-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-(3-aminopropyl)-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: C26H28F4N4O4 MolecularWeight: 536.518533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28F4N4O4/c27-20-9-5-17(6-10-20)14-32-15-22-33(13-11-23(35)34(22)21(24(32)36)2-1-12-31)25(37)38-16-18-3-7-19(8-4-18)26(28,29)30/h3-10,21-22H,1-2,11-16,31H2/t21-,22+/m0/s1