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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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