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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O4S/c1-2-3-15-29-23(30)21-8-5-4-7-20(21)22(26-29)24(31)27-13-6-14-28(17-16-27)34(32,33)19-11-9-18(25)10-12-19/h4-5,7-12H,2-3,6,13-17H2,1H3