2-[(4-azanylcyclohexyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[(4-azanylcyclohexyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide Openeye Name: 2-[(4-aminocyclohexyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide CAS Name: 2-[(4-aminocyclohexyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-[(4-aminocyclohexyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(4-aminocyclohexyl)amino]-5-nitro-N-veratryl-benzamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)N)OC

InChI

InChI=1S/C22H28N4O5/c1-30-20-10-3-14(11-21(20)31-2)13-24-22(27)18-12-17(26(28)29)8-9-19(18)25-16-6-4-15(23)5-7-16/h3,8-12,15-16,25H,4-7,13,23H2,1-2H3,(H,24,27)