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

Systemtic Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[(2-fluorophenyl)methyl]-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2-fluorobenzyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O3/c23-19-6-2-1-5-18(19)16-24-11-13-26(14-12-24)22(28)17-7-8-20(21(15-17)27(29)30)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14,16H2