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

Systemtic Name: 3-[4-[5-oxidanylidene-3-phenyl-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-4-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[5-oxo-3-phenyl-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-4-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[5-oxo-3-phenyl-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-4-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[5-oxo-3-phenyl-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-4-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[5-keto-3-phenyl-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-triazol-4-yl]phenyl]propionic acid hydrochloride Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)N3C(=O)N(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)CCC(=O)O.Cl

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)N3C(=O)N(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)CCC(=O)O.Cl

InChI

InChI=1S/C27H26N4O3.ClH/c32-25(33)13-8-19-6-10-23(11-7-19)30-26(21-4-2-1-3-5-21)29-31(27(30)34)24-12-9-20-14-16-28-17-15-22(20)18-24;/h1-7,9-12,18,28H,8,13-17H2,(H,32,33);1H