[8-nitro-3,6-bis(oxidanylidene)-2-(4-phenylbutyl)-4-propan-2-yl-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [8-nitro-3,6-bis(oxidanylidene)-2-(4-phenylbutyl)-4-propan-2-yl-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-isopropyl-8-nitro-3,6-dioxo-2-(4-phenylbutyl)-11-[2-(4-pyridyl)ethyl]-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [8-nitro-3,6-dioxo-2-(4-phenylbutyl)-4-propan-2-yl-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] ester IUPAC Name: [8-nitro-3,6-dioxo-2-(4-phenylbutyl)-4-propan-2-yl-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-isopropyl-3,6-diketo-8-nitro-2-(4-phenylbutyl)-11-[2-(4-pyridyl)ethyl]-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-9-yl] ester Formula: C33H34F3N5O6 MolecularWeight: 653.64817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(CC2N1C(=O)C3=CC(=C(C=C3N2CCC4=CC=NC=C4)OC(=O)C(F)(F)F)[N+](=O)[O-])CCCCC5=CC=CC=C5

Isomeric SMILES

CC(C)C1C(=O)N(CC2N1C(=O)C3=CC(=C(C=C3N2CCC4=CC=NC=C4)OC(=O)C(F)(F)F)[N+](=O)[O-])CCCCC5=CC=CC=C5

InChI

InChI=1S/C33H34F3N5O6/c1-21(2)29-31(43)38(16-7-6-10-22-8-4-3-5-9-22)20-28-39(17-13-23-11-14-37-15-12-23)25-19-27(47-32(44)33(34,35)36)26(41(45)46)18-24(25)30(42)40(28)29/h3-5,8-9,11-12,14-15,18-19,21,28-29H,6-7,10,13,16-17,20H2,1-2H3