4-(4-methylpiperidin-1-yl)-3-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c1-15-6-9-26(10-7-15)18-4-2-16(12-19(18)28(31)32)22(30)25-17-3-5-20(24-13-17)27-11-8-23-21(29)14-27/h2-5,12-13,15H,6-11,14H2,1H3,(H,23,29)(H,25,30)