N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3-methoxy-benzamide

Systemtic Name: N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3-methoxy-benzamide Openeye Name: N-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]-3-methoxy-benzamide CAS Name: N-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-3-methoxybenzamide IUPAC Name: N-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-3-methoxybenzamide Traditional Name: N-[4-[4-(1-isoquinolyl)piperazino]butyl]-3-methoxy-benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O2/c1-31-22-9-6-8-21(19-22)25(30)27-12-4-5-14-28-15-17-29(18-16-28)24-23-10-3-2-7-20(23)11-13-26-24/h2-3,6-11,13,19H,4-5,12,14-18H2,1H3,(H,27,30)