2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-[2-(4-pyridyl)ethyl]-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione; 2,2,2-trifluoroacetic acid CAS Name: 2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione; 2,2,2-trifluoroacetic acid Traditional Name: 2-(4-tert-butylbenzyl)-4-ethyl-8-nitro-11-[2-(4-pyridyl)ethyl]-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-quinone; 2,2,2-trifluoroacetic acid Formula: C33H36F3N5O6 MolecularWeight: 655.66405

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2N1C(=O)C3=C(N2CCC4=CC=NC=C4)C=CC(=C3)[N+](=O)[O-])CC5=CC=C(C=C5)C(C)(C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCC1C(=O)N(CC2N1C(=O)C3=C(N2CCC4=CC=NC=C4)C=CC(=C3)[N+](=O)[O-])CC5=CC=C(C=C5)C(C)(C)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H35N5O4.C2HF3O2/c1-5-26-30(38)33(19-22-6-8-23(9-7-22)31(2,3)4)20-28-34(17-14-21-12-15-32-16-13-21)27-11-10-24(36(39)40)18-25(27)29(37)35(26)28;3-2(4,5)1(6)7/h6-13,15-16,18,26,28H,5,14,17,19-20H2,1-4H3;(H,6,7)