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

Systemtic Name: 3-[[1-[(3-methyl-4-propan-2-yl-cyclohexyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 3-[[1-[(4-isopropyl-3-methyl-cyclohexyl)amino]-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 3-[[1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 3-[[1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 3-[[1-[(4-isopropyl-3-methyl-cyclohexyl)amino]-4-isoquinolyl]methyl]-2-pyridone Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1C(C)C)NC2=NC=C(C3=CC=CC=C32)CC4=CC=CNC4=O

Isomeric SMILES

CC1CC(CCC1C(C)C)NC2=NC=C(C3=CC=CC=C32)CC4=CC=CNC4=O

InChI

InChI=1S/C25H31N3O/c1-16(2)21-11-10-20(13-17(21)3)28-24-23-9-5-4-8-22(23)19(15-27-24)14-18-7-6-12-26-25(18)29/h4-9,12,15-17,20-21H,10-11,13-14H2,1-3H3,(H,26,29)(H,27,28)