(2-chloranyl-5-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-(6-phenoxy-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazino]methanone Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)OC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)OC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN5O4/c22-18-7-6-15(27(29)30)14-17(18)21(28)26-12-10-25(11-13-26)19-8-9-20(24-23-19)31-16-4-2-1-3-5-16/h1-9,14H,10-13H2