N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]isoquinoline-5-carboxamide

Systemtic Name: N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]isoquinoline-5-carboxamide Openeye Name: N-[2-(tetrahydropyran-4-ylmethylcarbamoyl)-3-pyridyl]isoquinoline-5-carboxamide CAS Name: N-[2-[(4-oxanylmethylamino)-oxomethyl]-3-pyridinyl]-5-isoquinolinecarboxamide IUPAC Name: N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]isoquinoline-5-carboxamide Traditional Name: N-[2-(tetrahydropyran-4-ylmethylcarbamoyl)-3-pyridyl]isoquinoline-5-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H22N4O3/c27-21(18-4-1-3-16-14-23-10-6-17(16)18)26-19-5-2-9-24-20(19)22(28)25-13-15-7-11-29-12-8-15/h1-6,9-10,14-15H,7-8,11-13H2,(H,25,28)(H,26,27)