3-[(4-propan-2-ylphenyl)amino]-2H-isoquinolin-1-one

Systemtic Name: 3-[(4-propan-2-ylphenyl)amino]-2H-isoquinolin-1-one Openeye Name: 3-(4-isopropylanilino)-2H-isoquinolin-1-one CAS Name: 3-(4-propan-2-ylanilino)-2H-isoquinolin-1-one IUPAC Name: 3-(4-propan-2-ylanilino)-2H-isoquinolin-1-one Traditional Name: 3-cumidinoisocarbostyril Formula: C18H18N2O MolecularWeight: 278.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H18N2O/c1-12(2)13-7-9-15(10-8-13)19-17-11-14-5-3-4-6-16(14)18(21)20-17/h3-12H,1-2H3,(H2,19,20,21)