N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide CAS Name: N-[4-[4-(3-methoxyphenyl)-1-piperazinyl]butyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[4-(3-methoxyphenyl)piperazino]butyl]isoquinoline-3-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=N3

InChI

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