2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-dioxo-imidazolidin-1-yl]ethylamino]-2-hydroxy-propoxy]benzonitrile hydrochloride CAS Name: 2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-dioxo-1-imidazolidinyl]ethylamino]-2-hydroxypropoxy]benzonitrile hydrochloride IUPAC Name: 2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-dioxoimidazolidin-1-yl]ethylamino]-2-hydroxypropoxy]benzonitrile hydrochloride Traditional Name: 2-[3-[2-[3-(1,3-benzodioxol-5-yl)-2,5-diketo-imidazolidin-1-yl]ethylamino]-2-hydroxy-propoxy]benzonitrile hydrochloride Formula: C22H23ClN4O6 MolecularWeight: 474.89422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)N1C2=CC3=C(C=C2)OCO3)CCNCC(COC4=CC=CC=C4C#N)O.Cl

Isomeric SMILES

C1C(=O)N(C(=O)N1C2=CC3=C(C=C2)OCO3)CCNCC(COC4=CC=CC=C4C#N)O.Cl

InChI

InChI=1S/C22H22N4O6.ClH/c23-10-15-3-1-2-4-18(15)30-13-17(27)11-24-7-8-25-21(28)12-26(22(25)29)16-5-6-19-20(9-16)32-14-31-19;/h1-6,9,17,24,27H,7-8,11-14H2;1H