5-chloranyl-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one

Systemtic Name: 5-chloranyl-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-chloro-3-[4-[4-(1-piperidyl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-chloro-3-[4-[4-(1-piperidinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-chloro-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-chloro-3-[4-(4-piperidinobutyl)piperazino]isocarbostyril Formula: C22H31ClN4O MolecularWeight: 402.96074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)C(=O)N3

Isomeric SMILES

C1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=C(C=CC=C4Cl)C(=O)N3

InChI

InChI=1S/C22H31ClN4O/c23-20-8-6-7-18-19(20)17-21(24-22(18)28)27-15-13-26(14-16-27)12-5-4-11-25-9-2-1-3-10-25/h6-8,17H,1-5,9-16H2,(H,24,28)