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

Systemtic Name: 2-ethyl-4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one Openeye Name: 2-ethyl-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 2-ethyl-4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-ethyl-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phthalazin-1-one Traditional Name: 2-ethyl-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]phthalazin-1-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O4S/c1-2-27-21(28)19-7-4-3-6-18(19)20(24-27)22(29)25-12-5-13-26(15-14-25)32(30,31)17-10-8-16(23)9-11-17/h3-4,6-11H,2,5,12-15H2,1H3