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

Systemtic Name: 3-[4-[1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxidanylidene-3-phenyl-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[5-keto-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenyl-1,2,4-triazol-4-yl]cyclohexyl]propionic acid Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C=C(C=C2)N3C(=O)N(C(=N3)C4=CC=CC=C4)C5CCC(CC5)CCC(=O)O

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)N3C(=O)N(C(=N3)C4=CC=CC=C4)C5CCC(CC5)CCC(=O)O

InChI

InChI=1S/C28H34N4O3/c1-30-17-15-21-10-13-25(19-23(21)16-18-30)32-28(35)31(27(29-32)22-5-3-2-4-6-22)24-11-7-20(8-12-24)9-14-26(33)34/h2-6,10,13,19-20,24H,7-9,11-12,14-18H2,1H3,(H,33,34)