2-(methylamino)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-5-nitro-benzamide

Systemtic Name: 2-(methylamino)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-5-nitro-benzamide CAS Name: 2-(methylamino)-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-5-nitrobenzamide Traditional Name: 2-(methylamino)-N-[6-(4-methylpiperazino)-3-pyridyl]-5-nitro-benzamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C18H22N6O3/c1-19-16-5-4-14(24(26)27)11-15(16)18(25)21-13-3-6-17(20-12-13)23-9-7-22(2)8-10-23/h3-6,11-12,19H,7-10H2,1-2H3,(H,21,25)