2-chloranyl-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-5-nitro-benzamide Formula: C22H21ClN6O3 MolecularWeight: 452.89354

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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=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O3/c1-27-10-12-28(13-11-27)21-9-8-20(25-26-21)15-2-4-16(5-3-15)24-22(30)18-14-17(29(31)32)6-7-19(18)23/h2-9,14H,10-13H2,1H3,(H,24,30)