4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-methyl-3-nitro-quinolin-2-one

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-methyl-3-nitro-quinolin-2-one Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-1-methyl-3-nitro-quinolin-2-one CAS Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-1-methyl-3-nitro-2-quinolinone IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-1-methyl-3-nitro-carbostyril Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H23FN4O4/c1-24-18-6-4-3-5-16(18)20(21(22(24)28)27(29)30)26-11-9-25(10-12-26)14-15-7-8-19(31-2)17(23)13-15/h3-8,13H,9-12,14H2,1-2H3