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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(6-phenyl-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(6-phenylpyridazin-3-yl)piperazino]methanone Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3/c22-18-14-16(27(29)30)6-7-17(18)21(28)26-12-10-25(11-13-26)20-9-8-19(23-24-20)15-4-2-1-3-5-15/h1-9,14H,10-13H2