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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 2-isobutyl-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-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-(4-tosyl-1,4-diazepane-1-carbonyl)phthalazin-1-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C25H30N4O4S/c1-18(2)17-29-24(30)22-8-5-4-7-21(22)23(26-29)25(31)27-13-6-14-28(16-15-27)34(32,33)20-11-9-19(3)10-12-20/h4-5,7-12,18H,6,13-17H2,1-3H3