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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-propyl-phthalazin-1-one Openeye Name: 2-propyl-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-propyl-1-phthalazinone IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 2-propyl-4-(4-tosyl-1,4-diazepane-1-carbonyl)phthalazin-1-one Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N4O4S/c1-3-13-28-23(29)21-8-5-4-7-20(21)22(25-28)24(30)26-14-6-15-27(17-16-26)33(31,32)19-11-9-18(2)10-12-19/h4-5,7-12H,3,6,13-17H2,1-2H3