4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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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)OCCCO5

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H29N3O4/c1-17(2)16-29-25(30)20-8-4-3-7-19(20)24(27-29)26(31)28-12-5-9-21(28)18-10-11-22-23(15-18)33-14-6-13-32-22/h3-4,7-8,10-11,15,17,21H,5-6,9,12-14,16H2,1-2H3/t21-/m0/s1