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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(phenylcarbamoylamino)cyclohexyl]amino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(phenylcarbamoylamino)cyclohexyl]amino]benzamide CAS Name: 2-[[4-[[anilino(oxo)methyl]amino]cyclohexyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(phenylcarbamoylamino)cyclohexyl]amino]benzamide Traditional Name: 5-nitro-2-[[4-(phenylcarbamoylamino)cyclohexyl]amino]-N-veratryl-benzamide Formula: C29H33N5O6 MolecularWeight: 547.60222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)NC(=O)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)NC(=O)NC4=CC=CC=C4)OC

InChI

InChI=1S/C29H33N5O6/c1-39-26-15-8-19(16-27(26)40-2)18-30-28(35)24-17-23(34(37)38)13-14-25(24)31-21-9-11-22(12-10-21)33-29(36)32-20-6-4-3-5-7-20/h3-8,13-17,21-22,31H,9-12,18H2,1-2H3,(H,30,35)(H2,32,33,36)