N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide Openeye Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]isoquinoline-3-carboxamide CAS Name: N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide Traditional Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]isoquinoline-3-carboxamide Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=N4)C#N

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=N4)C#N

InChI

InChI=1S/C26H27N5O2/c27-17-21-15-22(29-26(32)24-16-19-3-1-2-4-20(19)18-28-24)5-6-25(21)31-11-9-30(10-12-31)23-7-13-33-14-8-23/h1-6,15-16,18,23H,7-14H2,(H,29,32)