N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-3,5-dinitro-benzamide Formula: C22H21N7O5 MolecularWeight: 463.44604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O5/c1-26-8-10-27(11-9-26)21-7-6-20(24-25-21)15-2-4-17(5-3-15)23-22(30)16-12-18(28(31)32)14-19(13-16)29(33)34/h2-7,12-14H,8-11H2,1H3,(H,23,30)