N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S/c1-26-23(29)20-9-5-4-8-19(20)21(25-26)16-22(28)24-17-10-12-18(13-11-17)32(30,31)27-14-6-2-3-7-15-27/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,28)