5-[[1-[(2-propan-2-yl-1,3-dioxan-5-yl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 5-[[1-[(2-propan-2-yl-1,3-dioxan-5-yl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-[(2-isopropyl-1,3-dioxan-5-yl)amino]-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-[(2-propan-2-yl-1,3-dioxan-5-yl)amino]-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-[(2-propan-2-yl-1,3-dioxan-5-yl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[1-[(2-isopropyl-1,3-dioxan-5-yl)amino]-4-isoquinolyl]methyl]-2-pyridone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1OCC(CO1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4

Isomeric SMILES

CC(C)C1OCC(CO1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4

InChI

InChI=1S/C22H25N3O3/c1-14(2)22-27-12-17(13-28-22)25-21-19-6-4-3-5-18(19)16(11-24-21)9-15-7-8-20(26)23-10-15/h3-8,10-11,14,17,22H,9,12-13H2,1-2H3,(H,23,26)(H,24,25)