N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]phenyl]-4-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3N

Isomeric SMILES

CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3N

InChI

InChI=1S/C22H26N4O4/c1-15(27)25(21-8-3-2-7-20(21)23)14-16-5-4-6-18(13-16)24-22(28)17-9-11-19(12-10-17)26(29)30/h4-6,9-13,20-21H,2-3,7-8,14,23H2,1H3,(H,24,28)