4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O4/c1-16(2)15-28-24(29)19-7-4-3-6-18(19)23(26-28)25(30)27-11-5-8-20(27)17-9-10-21-22(14-17)32-13-12-31-21/h3-4,6-7,9-10,14,16,20H,5,8,11-13,15H2,1-2H3/t20-/m0/s1