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

Systemtic Name: N-(furan-2-ylmethyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2-furfuryl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C24H23N5O2 MolecularWeight: 413.47172

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)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C24H23N5O2/c30-24(27-16-18-6-5-15-31-18)21-17-26-23(20-8-2-1-7-19(20)21)29-13-11-28(12-14-29)22-9-3-4-10-25-22/h1-10,15,17H,11-14,16H2,(H,27,30)