3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[3-(3-cyclohexyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-keto-imidazolidin-1-yl]cyclohexyl]propionic acid hydrochloride Formula: C28H42ClN3O3 MolecularWeight: 504.10438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC3=C(CC2)C=C(C=C3)N4CCN(C4=O)C5CCC(CC5)CCC(=O)O.Cl

Isomeric SMILES

C1CCC(CC1)N2CCC3=C(CC2)C=C(C=C3)N4CCN(C4=O)C5CCC(CC5)CCC(=O)O.Cl

InChI

InChI=1S/C28H41N3O3.ClH/c32-27(33)13-8-21-6-10-25(11-7-21)30-18-19-31(28(30)34)26-12-9-22-14-16-29(17-15-23(22)20-26)24-4-2-1-3-5-24;/h9,12,20-21,24-25H,1-8,10-11,13-19H2,(H,32,33);1H