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

Systemtic Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholino-3-nitro-benzamide Formula: C22H22FN5O4 MolecularWeight: 439.439583

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22FN5O4/c1-26-8-7-24-21(26)20(15-3-2-4-17(23)13-15)25-22(29)16-5-6-18(19(14-16)28(30)31)27-9-11-32-12-10-27/h2-8,13-14,20H,9-12H2,1H3,(H,25,29)