3-azanyl-2-(2,5-dimethylphenyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(2,5-dimethylphenyl)isoquinolin-1-one Openeye Name: 3-amino-2-(2,5-dimethylphenyl)isoquinolin-1-one CAS Name: 3-amino-2-(2,5-dimethylphenyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(2,5-dimethylphenyl)isoquinolin-1-one Traditional Name: 3-amino-2-(2,5-dimethylphenyl)isocarbostyril Formula: C17H16N2O MolecularWeight: 264.32174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC3=CC=CC=C3C2=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C17H16N2O/c1-11-7-8-12(2)15(9-11)19-16(18)10-13-5-3-4-6-14(13)17(19)20/h3-10H,18H2,1-2H3