[4-[(3-fluorophenyl)methyl]-11-(3-imidazol-1-ylpropyl)-8-nitro-3,6-bis(oxidanylidene)-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[(3-fluorophenyl)methyl]-11-(3-imidazol-1-ylpropyl)-8-nitro-3,6-bis(oxidanylidene)-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[(3-fluorophenyl)methyl]-11-(3-imidazol-1-ylpropyl)-8-nitro-3,6-dioxo-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [4-[(3-fluorophenyl)methyl]-11-[3-(1-imidazolyl)propyl]-8-nitro-3,6-dioxo-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] ester IUPAC Name: [4-[(3-fluorophenyl)methyl]-11-(3-imidazol-1-ylpropyl)-8-nitro-3,6-dioxo-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-(3-fluorobenzyl)-11-(3-imidazol-1-ylpropyl)-3,6-diketo-8-nitro-2-(4-phenylbutyl)-1,11a-dihydropyrazino[2,1-b]quinazolin-4-yl] ester Formula: C36H34F4N6O6 MolecularWeight: 722.685373

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C(C(=O)N1CCCCC4=CC=CC=C4)(CC5=CC(=CC=C5)F)OC(=O)C(F)(F)F)CCCN6C=CN=C6

Isomeric SMILES

C1C2N(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C(C(=O)N1CCCCC4=CC=CC=C4)(CC5=CC(=CC=C5)F)OC(=O)C(F)(F)F)CCCN6C=CN=C6

InChI

InChI=1S/C36H34F4N6O6/c37-27-12-6-11-26(20-27)22-35(52-34(49)36(38,39)40)33(48)43(17-5-4-10-25-8-2-1-3-9-25)23-31-44(18-7-16-42-19-15-41-24-42)30-14-13-28(46(50)51)21-29(30)32(47)45(31)35/h1-3,6,8-9,11-15,19-21,24,31H,4-5,7,10,16-18,22-23H2