4-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H27N5O4/c27-20(17-4-5-18(19(14-17)26(28)29)24-9-8-22-16-24)23-15-21(6-2-1-3-7-21)25-10-12-30-13-11-25/h4-5,8-9,14,16H,1-3,6-7,10-13,15H2,(H,23,27)