4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C24H27FN4O4S MolecularWeight: 486.558983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O4S/c1-17(2)16-29-23(30)21-7-4-3-6-20(21)22(26-29)24(31)27-12-5-13-28(15-14-27)34(32,33)19-10-8-18(25)9-11-19/h3-4,6-11,17H,5,12-16H2,1-2H3