4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-pentyl-phthalazin-1-one Openeye Name: 2-pentyl-4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(4-tosyl-1,4-diazepane-1-carbonyl)phthalazin-1-one Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H32N4O4S/c1-3-4-7-17-30-25(31)23-10-6-5-9-22(23)24(27-30)26(32)28-15-8-16-29(19-18-28)35(33,34)21-13-11-20(2)12-14-21/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3