N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4O4S/c1-15-10-11-16(14-19(15)31(29,30)26-12-6-2-3-7-13-26)23-22(28)20-17-8-4-5-9-18(17)21(27)25-24-20/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,28)(H,25,27)