N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranyl-3-phenyl-indazol-1-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranyl-3-phenyl-indazol-1-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-3-phenyl-indazol-1-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-3-phenyl-1-indazolyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-3-phenylindazol-1-yl)butanamide Traditional Name: 4-(5-chloro-3-phenyl-indazol-1-yl)-N-piperonyl-butyramide Formula: C25H22ClN3O3 MolecularWeight: 447.91348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3O3/c26-19-9-10-21-20(14-19)25(18-5-2-1-3-6-18)28-29(21)12-4-7-24(30)27-15-17-8-11-22-23(13-17)32-16-31-22/h1-3,5-6,8-11,13-14H,4,7,12,15-16H2,(H,27,30)