3-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one

Systemtic Name: 3-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Openeye Name: 3-[[(1E)-3-methyl-1-(2-methylprop-1-enyl)buta-1,3-dienyl]amino]-2H-isoquinolin-1-one CAS Name: 3-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one IUPAC Name: 3-[[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Traditional Name: 3-[[(1E)-3-methyl-1-(2-methylprop-1-enyl)buta-1,3-dienyl]amino]isocarbostyril Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=CC(=C)C)NC1=CC2=CC=CC=C2C(=O)N1)C

Isomeric SMILES

CC(=C/C(=C\C(=C)C)/NC1=CC2=CC=CC=C2C(=O)N1)C

InChI

InChI=1S/C18H20N2O/c1-12(2)9-15(10-13(3)4)19-17-11-14-7-5-6-8-16(14)18(21)20-17/h5-11H,1H2,2-4H3,(H2,19,20,21)/b15-9+