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

Systemtic Name: 5-[[1-[(3-methyl-4-propan-2-yl-cyclohexyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-[(4-isopropyl-3-methyl-cyclohexyl)amino]-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[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=CNC(=O)C=C4

Isomeric SMILES

CC1CC(CCC1C(C)C)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4

InChI

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