4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O4S/c1-2-9-28-21(29)17-6-4-3-5-16(17)20(25-28)22(30)26-10-12-27(13-11-26)33(31,32)15-7-8-19(24)18(23)14-15/h3-8,14H,2,9-13H2,1H3