(5E)-5-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide

Systemtic Name: (5E)-5-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide Openeye Name: (5E)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide CAS Name: (5E)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide IUPAC Name: (5E)-5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide Traditional Name: (5E)-5-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine-7-carboxamide Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC=C3CC4=C(C=CC=C4OC5=C3C=CC=N5)C(=O)N

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC/C=C/3\CC4=C(C=CC=C4OC5=C3C=CC=N5)C(=O)N

InChI

InChI=1S/C28H28ClN3O3/c29-21-10-8-20(9-11-21)28(34)12-16-32(17-13-28)15-3-4-19-18-24-23(26(30)33)5-1-7-25(24)35-27-22(19)6-2-14-31-27/h1-2,4-11,14,34H,3,12-13,15-18H2,(H2,30,33)/b19-4+