4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-2-isopropyl-phthalazin-1-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H28N4O4S/c1-17(2)29-24(30)22-9-4-3-8-21(22)23(26-29)25(31)27-12-14-28(15-13-27)34(32,33)20-11-10-18-6-5-7-19(18)16-20/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3