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

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C28H25N3O4/c32-27-22-11-5-4-10-21(22)26(29-31(27)20-8-2-1-3-9-20)28(33)30-15-6-12-23(30)19-13-14-24-25(18-19)35-17-7-16-34-24/h1-5,8-11,13-14,18,23H,6-7,12,15-17H2/t23-/m0/s1