N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]isoquinoline-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=NC=CC4=CC=CC=C43

InChI

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