[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazino]-(3-fluorophenyl)methanone Formula: C21H22F2N4O3 MolecularWeight: 416.421186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)[N+](=O)[O-])F

InChI

InChI=1S/C21H22F2N4O3/c22-16-5-3-4-15(12-16)21(28)26-10-8-25(9-11-26)19-14-18(24-6-1-2-7-24)17(23)13-20(19)27(29)30/h3-5,12-14H,1-2,6-11H2