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

Systemtic Name: 3-[[(3E)-3-methoxy-6-methyl-hepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Openeye Name: 3-[[(1E)-2-methoxy-1-(2-methylprop-1-enyl)buta-1,3-dienyl]amino]-2H-isoquinolin-1-one CAS Name: 3-[[(3E)-3-methoxy-6-methylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one IUPAC Name: 3-[[(3E)-3-methoxy-6-methylhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Traditional Name: 3-[[(1E)-2-methoxy-1-(2-methylprop-1-enyl)buta-1,3-dienyl]amino]isocarbostyril Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c1-5-16(22-4)15(10-12(2)3)19-17-11-13-8-6-7-9-14(13)18(21)20-17/h5-11H,1H2,2-4H3,(H2,19,20,21)/b16-15+