N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-2-(diethylamino)-5-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-2-(diethylamino)-5-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(diethylamino)-5-nitro-benzamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-2-(diethylamino)-5-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(diethylamino)-5-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-2-(diethylamino)-5-nitro-benzamide Formula: C22H28ClN5O3 MolecularWeight: 445.94242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C22H28ClN5O3/c1-4-26(5-2)20-9-7-17(28(30)31)15-18(20)22(29)24-19-14-16(23)6-8-21(19)27-12-10-25(3)11-13-27/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,29)