N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22FN5O3/c1-26-13-10-24-21(26)20(15-4-7-17(23)8-5-15)25-22(29)16-6-9-18(19(14-16)28(30)31)27-11-2-3-12-27/h4-10,13-14,20H,2-3,11-12H2,1H3,(H,25,29)