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

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazino)methyl]phthalazin-1-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C22H24N4O3S/c27-22-21-7-2-1-4-19(21)15-23-26(22)16-24-10-12-25(13-11-24)30(28,29)20-9-8-17-5-3-6-18(17)14-20/h1-2,4,7-9,14-15H,3,5-6,10-13,16H2