N-(4-phenoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(4-phenoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-phenoxyphenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(4-phenoxyphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-phenoxyphenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C31H27N5O2 MolecularWeight: 501.57838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H27N5O2/c37-31(34-23-13-15-25(16-14-23)38-24-8-2-1-3-9-24)28-22-33-30(27-11-5-4-10-26(27)28)36-20-18-35(19-21-36)29-12-6-7-17-32-29/h1-17,22H,18-21H2,(H,34,37)