3-(2-fluorophenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(2-fluorophenyl)-6-nitro-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-6-nitro-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 3-(2-fluorophenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(2-fluorophenyl)-6-nitro-2-[[4-(2-pyridyl)piperazino]methyl]quinazolin-4-one Formula: C24H21FN6O3 MolecularWeight: 460.460343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F)C5=CC=CC=N5

InChI

InChI=1S/C24H21FN6O3/c25-19-5-1-2-6-21(19)30-23(27-20-9-8-17(31(33)34)15-18(20)24(30)32)16-28-11-13-29(14-12-28)22-7-3-4-10-26-22/h1-10,15H,11-14,16H2