1-(4-chlorophenyl)-4-[(3E)-3-(7-oxidanyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperazin-2-one

Systemtic Name: 1-(4-chlorophenyl)-4-[(3E)-3-(7-oxidanyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperazin-2-one Openeye Name: 1-(4-chlorophenyl)-4-[(3E)-3-(7-hydroxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperazin-2-one CAS Name: 1-(4-chlorophenyl)-4-[(3E)-3-(7-hydroxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-2-piperazinone IUPAC Name: 1-(4-chlorophenyl)-4-[(3E)-3-(7-hydroxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperazin-2-one Traditional Name: 1-(4-chlorophenyl)-4-[(3E)-3-(7-hydroxy-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperazin-2-one Formula: C26H24ClN3O3 MolecularWeight: 461.94006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CCC=C2CC3=C(C=CC=C3O)OC4=C2C=CC=N4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(C(=O)CN1CC/C=C/2\CC3=C(C=CC=C3O)OC4=C2C=CC=N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24ClN3O3/c27-19-8-10-20(11-9-19)30-15-14-29(17-25(30)32)13-3-4-18-16-22-23(31)6-1-7-24(22)33-26-21(18)5-2-12-28-26/h1-2,4-12,31H,3,13-17H2/b18-4+