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

Systemtic Name: 5-chloranyl-3-[4-(4-morpholin-4-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-chloro-3-[4-(4-morpholinobutyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-chloro-3-[4-[4-(4-morpholinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-chloro-3-[4-(4-morpholin-4-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-chloro-3-[4-(4-morpholinobutyl)piperazino]isocarbostyril Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CCOCC2)C3=CC4=C(C=CC=C4Cl)C(=O)N3

Isomeric SMILES

C1CN(CCN1CCCCN2CCOCC2)C3=CC4=C(C=CC=C4Cl)C(=O)N3

InChI

InChI=1S/C21H29ClN4O2/c22-19-5-3-4-17-18(19)16-20(23-21(17)27)26-10-8-24(9-11-26)6-1-2-7-25-12-14-28-15-13-25/h3-5,16H,1-2,6-15H2,(H,23,27)