[3,5-bis(trifluoromethyl)phenyl]methyl (3R,6S,9aS)-6-(4-azanylbutyl)-8-(cyclopropylmethyl)-4,7-bis(oxidanylidene)-3-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl (3R,6S,9aS)-6-(4-azanylbutyl)-8-(cyclopropylmethyl)-4,7-bis(oxidanylidene)-3-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl (3R,6S,9aS)-6-(4-aminobutyl)-3-benzyl-8-(cyclopropylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate CAS Name: (3R,6S,9aS)-6-(4-aminobutyl)-8-(cyclopropylmethyl)-4,7-dioxo-3-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl (3R,6S,9aS)-6-(4-aminobutyl)-3-benzyl-8-(cyclopropylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate Traditional Name: (3R,6S,9aS)-6-(4-aminobutyl)-3-benzyl-8-(cyclopropylmethyl)-4,7-diketo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C32H36F6N4O4 MolecularWeight: 654.643059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC3N(CC(C(=O)N3C(C2=O)CCCCN)CC4=CC=CC=C4)C(=O)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC1CN2C[C@@H]3N(C[C@H](C(=O)N3[C@H](C2=O)CCCCN)CC4=CC=CC=C4)C(=O)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H36F6N4O4/c33-31(34,35)24-13-22(14-25(15-24)32(36,37)38)19-46-30(45)41-17-23(12-20-6-2-1-3-7-20)28(43)42-26(8-4-5-11-39)29(44)40(18-27(41)42)16-21-9-10-21/h1-3,6-7,13-15,21,23,26-27H,4-5,8-12,16-19,39H2/t23-,26+,27-/m1/s1