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

Systemtic Name: 3-[4-[5-oxidanylidene-3-phenyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[5-oxo-3-phenyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[5-oxo-3-phenyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[5-oxo-3-phenyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[5-keto-3-phenyl-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-1-yl]cyclohexyl]propionic acid hydrochloride Formula: C27H33ClN4O3 MolecularWeight: 497.02892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)O)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(CCNCC5)C=C4.Cl

Isomeric SMILES

C1CC(CCC1CCC(=O)O)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(CCNCC5)C=C4.Cl

InChI

InChI=1S/C27H32N4O3.ClH/c32-25(33)13-8-19-6-10-23(11-7-19)31-27(34)30(26(29-31)21-4-2-1-3-5-21)24-12-9-20-14-16-28-17-15-22(20)18-24;/h1-5,9,12,18-19,23,28H,6-8,10-11,13-17H2,(H,32,33);1H