propan-2-yl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride

Systemtic Name: propan-2-yl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride Openeye Name: isopropyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride CAS Name: 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoate hydrochloride Traditional Name: 3-[4-[2-keto-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)imidazolidin-1-yl]cyclohexyl]propionic acid isopropyl ester hydrochloride Formula: C26H40ClN3O3 MolecularWeight: 478.0671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCN(CC4)C)C=C3.Cl

Isomeric SMILES

CC(C)OC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCN(CC4)C)C=C3.Cl

InChI

InChI=1S/C26H39N3O3.ClH/c1-19(2)32-25(30)11-6-20-4-8-23(9-5-20)28-16-17-29(26(28)31)24-10-7-21-12-14-27(3)15-13-22(21)18-24;/h7,10,18-20,23H,4-6,8-9,11-17H2,1-3H3;1H