2-methyl-3-[(2-methylpropylamino)methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 2-methyl-3-[(2-methylpropylamino)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-[(isobutylamino)methyl]-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 2-methyl-3-[(2-methylpropylamino)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-methyl-3-[(2-methylpropylamino)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-[(isobutylamino)methyl]-2-methyl-4-phenyl-isocarbostyril Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C2=CC=CC=C2C(=O)N1C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNCC1=C(C2=CC=CC=C2C(=O)N1C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-15(2)13-22-14-19-20(16-9-5-4-6-10-16)17-11-7-8-12-18(17)21(24)23(19)3/h4-12,15,22H,13-14H2,1-3H3