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

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-4-morpholino-3-nitro-benzamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-25-6-8-27(9-7-25)21-5-2-17(15-23-21)16-24-22(29)18-3-4-19(20(14-18)28(30)31)26-10-12-32-13-11-26/h2-5,14-15H,6-13,16H2,1H3,(H,24,29)