2-[(4-azanylcyclohexyl)amino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[(4-azanylcyclohexyl)amino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-nitro-benzamide Openeye Name: 2-[(4-aminocyclohexyl)amino]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-nitro-benzamide CAS Name: 2-[(4-aminocyclohexyl)amino]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-[(4-aminocyclohexyl)amino]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(4-aminocyclohexyl)amino]-N-(4-ethoxy-3-methoxy-benzyl)-5-nitro-benzamide Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)N)OC

InChI

InChI=1S/C23H30N4O5/c1-3-32-21-11-4-15(12-22(21)31-2)14-25-23(28)19-13-18(27(29)30)9-10-20(19)26-17-7-5-16(24)6-8-17/h4,9-13,16-17,26H,3,5-8,14,24H2,1-2H3,(H,25,28)