(4-nitrophenyl)methyl 5-cyclopropyl-8-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-bis(oxidanylidene)-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-cyclopropyl-8-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-bis(oxidanylidene)-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-(4-tert-butoxycarbonylpiperazin-1-yl)-5-cyclopropyl-8-fluoro-1,3-dioxo-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate CAS Name: 5-cyclopropyl-8-fluoro-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-1,3-dioxo-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-cyclopropyl-8-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-dioxo-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate Traditional Name: 7-(4-tert-butoxycarbonylpiperazino)-5-cyclopropyl-8-fluoro-1,3-diketo-4,4a-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C30H33FN6O8 MolecularWeight: 624.616823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C4N3C(=O)NC(=O)C4C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6CC6)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C4N3C(=O)NC(=O)C4C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6CC6)F

InChI

InChI=1S/C30H33FN6O8/c1-30(2,3)45-29(41)34-12-10-33(11-13-34)21-15-23-22(14-20(21)31)36-26(35(23)18-8-9-18)24(25(38)32-28(36)40)27(39)44-16-17-4-6-19(7-5-17)37(42)43/h4-7,14-15,18,24,26H,8-13,16H2,1-3H3,(H,32,38,40)