4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-(2-piperidin-1-ylsulfonylethyl)pyrrolidin-2-yl]methyl]phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-(2-piperidin-1-ylsulfonylethyl)pyrrolidin-2-yl]methyl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-[2-(1-piperidylsulfonyl)ethyl]pyrrolidin-2-yl]methyl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-[2-(1-piperidinylsulfonyl)ethyl]-2-pyrrolidinyl]methyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-(2-piperidin-1-ylsulfonylethyl)pyrrolidin-2-yl]methyl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[[(2R)-1-(2-piperidinosulfonylethyl)pyrrolidin-2-yl]methyl]phthalazin-1-one Formula: C27H33ClN4O3S MolecularWeight: 529.09392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CCN2CCCC2CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN2CCC[C@@H]2CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H33ClN4O3S/c28-22-12-10-21(11-13-22)19-26-24-8-2-3-9-25(24)27(33)32(29-26)20-23-7-6-14-30(23)17-18-36(34,35)31-15-4-1-5-16-31/h2-3,8-13,23H,1,4-7,14-20H2/t23-/m1/s1