N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-morpholino-3-nitro-benzamide Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4O4/c1-24(2)20(15-4-3-5-17(22)12-15)14-23-21(27)16-6-7-18(19(13-16)26(28)29)25-8-10-30-11-9-25/h3-7,12-13,20H,8-11,14H2,1-2H3,(H,23,27)