3-[6-methyl-1-[(3-methyl-4-propan-2-yl-cyclohexyl)amino]isoquinolin-4-yl]-1H-pyridin-2-one

Systemtic Name: 3-[6-methyl-1-[(3-methyl-4-propan-2-yl-cyclohexyl)amino]isoquinolin-4-yl]-1H-pyridin-2-one Openeye Name: 3-[1-[(4-isopropyl-3-methyl-cyclohexyl)amino]-6-methyl-4-isoquinolyl]-1H-pyridin-2-one CAS Name: 3-[6-methyl-1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]-4-isoquinolinyl]-1H-pyridin-2-one IUPAC Name: 3-[6-methyl-1-[(3-methyl-4-propan-2-ylcyclohexyl)amino]isoquinolin-4-yl]-1H-pyridin-2-one Traditional Name: 3-[1-[(4-isopropyl-3-methyl-cyclohexyl)amino]-6-methyl-4-isoquinolyl]-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=C2C=CC(=C3)C)C4=CC=CNC4=O

Isomeric SMILES

CC1CC(CCC1C(C)C)NC2=NC=C(C3=C2C=CC(=C3)C)C4=CC=CNC4=O

InChI

InChI=1S/C25H31N3O/c1-15(2)19-10-8-18(13-17(19)4)28-24-20-9-7-16(3)12-22(20)23(14-27-24)21-6-5-11-26-25(21)29/h5-7,9,11-12,14-15,17-19H,8,10,13H2,1-4H3,(H,26,29)(H,27,28)