2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-6-nitro-3-oxidanyl-quinazolin-4-one

Systemtic Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-6-nitro-3-oxidanyl-quinazolin-4-one Openeye Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]-3-hydroxy-6-nitro-quinazolin-4-one CAS Name: 2-[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]-3-hydroxy-6-nitro-4-quinazolinone IUPAC Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-3-hydroxy-6-nitroquinazolin-4-one Traditional Name: 2-[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]piperidino]-3-hydroxy-6-nitro-quinazolin-4-one Formula: C27H24FN7O4 MolecularWeight: 529.522363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)N5O

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)N5O

InChI

InChI=1S/C27H24FN7O4/c28-18-7-5-17(6-8-18)16-33-24-4-2-1-3-23(24)30-26(33)29-19-11-13-32(14-12-19)27-31-22-10-9-20(35(38)39)15-21(22)25(36)34(27)37/h1-10,15,19,37H,11-14,16H2,(H,29,30)