2-[6-(4-methylpiperazin-1-yl)-3-nitro-pyridin-2-yl]-N,N-di(propan-2-yl)benzamide

Systemtic Name: 2-[6-(4-methylpiperazin-1-yl)-3-nitro-pyridin-2-yl]-N,N-di(propan-2-yl)benzamide Openeye Name: N,N-diisopropyl-2-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridyl]benzamide CAS Name: 2-[6-(4-methyl-1-piperazinyl)-3-nitro-2-pyridinyl]-N,N-di(propan-2-yl)benzamide IUPAC Name: 2-[6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-yl]-N,N-di(propan-2-yl)benzamide Traditional Name: N,N-diisopropyl-2-[6-(4-methylpiperazino)-3-nitro-2-pyridyl]benzamide Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=CC=C1C2=C(C=CC(=N2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=CC=C1C2=C(C=CC(=N2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O3/c1-16(2)27(17(3)4)23(29)19-9-7-6-8-18(19)22-20(28(30)31)10-11-21(24-22)26-14-12-25(5)13-15-26/h6-11,16-17H,12-15H2,1-5H3