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

Systemtic Name: 4-chloranyl-5-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(3-methyl-2-nitro-benzoyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O4/c1-15-6-5-9-17(20(15)28(31)32)21(29)26-12-10-25(11-13-26)18-14-24-27(22(30)19(18)23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3