3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazin-1-yl)-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazin-1-yl)-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazin-1-yl)-7-nitro-quinazolin-4-one CAS Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-2-(4-methyl-1-piperazinyl)-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-7-nitroquinazolin-4-one Traditional Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-2-(4-methylpiperazino)-7-nitro-quinazolin-4-one Formula: C22H24FN5O4 MolecularWeight: 441.455463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=C(C=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=C(C=C(C=C4)OC)F

InChI

InChI=1S/C22H24FN5O4/c1-25-9-11-26(12-10-25)22-24-20-13-16(28(30)31)4-6-18(20)21(29)27(22)8-7-15-3-5-17(32-2)14-19(15)23/h3-6,13-14H,7-12H2,1-2H3