4-(4-methylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-(5-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-(5-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-N-(5-methyl-2-pyridyl)-3-nitro-benzamide Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-13-3-6-17(19-12-13)20-18(24)14-4-5-15(16(11-14)23(25)26)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,24)