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

Systemtic Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-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(=CC=C2)F)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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