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

Systemtic Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-25-22(27)17-7-3-2-6-16(17)21(24-25)23(28)26-11-4-8-18(26)15-9-10-19-20(14-15)30-13-5-12-29-19/h2-3,6-7,9-10,14,18H,4-5,8,11-13H2,1H3/t18-/m1/s1