3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]propanoic acid trihydrochloride

Systemtic Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]propanoic acid trihydrochloride Openeye Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazolidin-1-yl]-1-piperidyl]propanoic acid trihydrochloride CAS Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-1-imidazolidinyl]-1-piperidinyl]propanoic acid trihydrochloride IUPAC Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]propanoic acid trihydrochloride Traditional Name: 3-[4-[3-(7-ethyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-2-keto-imidazolidin-1-yl]piperidino]propionic acid trihydrochloride Formula: C21H35Cl3N6O3 MolecularWeight: 525.9

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)CCC(=O)O.Cl.Cl.Cl

Isomeric SMILES

CCN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCN(CC4)CCC(=O)O.Cl.Cl.Cl

InChI

InChI=1S/C21H32N6O3.3ClH/c1-2-24-10-5-17-18(6-11-24)23-19(15-22-17)27-14-13-26(21(27)30)16-3-8-25(9-4-16)12-7-20(28)29;;;/h15-16H,2-14H2,1H3,(H,28,29);3*1H