4-[[3-[(4-ethylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[(4-ethylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-ethylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-esyl-1,4-diazepane-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O4S/c1-2-32(30,31)27-12-6-11-26(13-14-27)23(29)18-8-5-7-17(15-18)16-21-19-9-3-4-10-20(19)22(28)25-24-21/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H,25,28)