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

Systemtic Name: 3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxidanylidene-3-phenyl-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-phenyl-1,2,4-triazol-1-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[5-keto-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenyl-1,2,4-triazol-1-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(=NN(C3=O)C4CCC(CC4)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)N3C(=NN(C3=O)C4CCC(CC4)CCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O3/c1-30-17-15-21-10-13-25(19-23(21)16-18-30)31-27(22-5-3-2-4-6-22)29-32(28(31)35)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)