4-chloranyl-5-[4-(2-nitrocyclopropyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(2-nitrocyclopropyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-nitrocyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(2-nitrocyclopropyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(2-nitrocyclopropanecarbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-nitrocyclopropanecarbonyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4CC4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4CC4[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O4/c19-16-15(11-20-23(18(16)26)12-4-2-1-3-5-12)21-6-8-22(9-7-21)17(25)13-10-14(13)24(27)28/h1-5,11,13-14H,6-10H2