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

Systemtic Name: 4-chloranyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-3-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(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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