N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[6-(4-methylpiperazino)-3-pyridyl]-4-morpholino-3-nitro-benzamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4/c1-24-6-8-26(9-7-24)20-5-3-17(15-22-20)23-21(28)16-2-4-18(19(14-16)27(29)30)25-10-12-31-13-11-25/h2-5,14-15H,6-13H2,1H3,(H,23,28)