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

Systemtic Name: 3-[4-[2-methyl-3,5-bis(oxidanylidene)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[2-methyl-3,5-dioxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[2-methyl-3,5-dioxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[2-methyl-3,5-dioxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazolidin-1-yl]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[3,5-diketo-2-methyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazolidin-1-yl]cyclohexyl]propionic acid hydrochloride Formula: C22H31ClN4O4 MolecularWeight: 450.95894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=O)N1C2CCC(CC2)CCC(=O)O)C3=CC4=C(CCNCC4)C=C3.Cl

Isomeric SMILES

CN1C(=O)N(C(=O)N1C2CCC(CC2)CCC(=O)O)C3=CC4=C(CCNCC4)C=C3.Cl

InChI

InChI=1S/C22H30N4O4.ClH/c1-24-21(29)25(19-8-5-16-10-12-23-13-11-17(16)14-19)22(30)26(24)18-6-2-15(3-7-18)4-9-20(27)28;/h5,8,14-15,18,23H,2-4,6-7,9-13H2,1H3,(H,27,28);1H