4-(azepan-1-yl)-N-(4-methyl-2-morpholin-4-yl-pentyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-methyl-2-morpholin-4-yl-pentyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-methyl-2-morpholino-pentyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-methyl-2-(4-morpholinyl)pentyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-methyl-2-morpholino-pentyl)-3-nitro-benzamide Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C23H36N4O4/c1-18(2)15-20(25-11-13-31-14-12-25)17-24-23(28)19-7-8-21(22(16-19)27(29)30)26-9-5-3-4-6-10-26/h7-8,16,18,20H,3-6,9-15,17H2,1-2H3,(H,24,28)