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

Systemtic Name: 4-(cyclopropylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[1-(4-morpholinyl)cyclohexyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(1-morpholinocyclohexyl)methyl]-3-nitro-benzamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H30N4O4/c26-20(16-4-7-18(23-17-5-6-17)19(14-16)25(27)28)22-15-21(8-2-1-3-9-21)24-10-12-29-13-11-24/h4,7,14,17,23H,1-3,5-6,8-13,15H2,(H,22,26)