N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S/c1-27-24(30)19-10-6-5-9-18(19)20(26-27)16-23(29)25-21-15-17(11-12-22(21)33-2)34(31,32)28-13-7-3-4-8-14-28/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,25,29)