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

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H21N3O4/c26-21-16-6-2-1-5-15(16)20(23-24-21)22(27)25-10-3-7-17(25)14-8-9-18-19(13-14)29-12-4-11-28-18/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2,(H,24,26)/t17-/m0/s1