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

Systemtic Name: 7-bromanyl-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 7-bromo-3-[4-[4-(1-piperidyl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 7-bromo-3-[4-[4-(1-piperidinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 7-bromo-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 7-bromo-3-[4-(4-piperidinobutyl)piperazino]isocarbostyril Formula: C22H31BrN4O MolecularWeight: 447.41174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=C(C=C(C=C4)Br)C(=O)N3

Isomeric SMILES

C1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=C(C=C(C=C4)Br)C(=O)N3

InChI

InChI=1S/C22H31BrN4O/c23-19-7-6-18-16-21(24-22(28)20(18)17-19)27-14-12-26(13-15-27)11-5-4-10-25-8-2-1-3-9-25/h6-7,16-17H,1-5,8-15H2,(H,24,28)