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

Systemtic Name: 3-[[(3E,5Z)-2,5-dimethoxyhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Openeye Name: 3-[[(1E)-3-methoxy-1-[(Z)-1-methoxyprop-1-enyl]buta-1,3-dienyl]amino]-2H-isoquinolin-1-one CAS Name: 3-[[(3E,5Z)-2,5-dimethoxyhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one IUPAC Name: 3-[[(3E,5Z)-2,5-dimethoxyhepta-1,3,5-trien-4-yl]amino]-2H-isoquinolin-1-one Traditional Name: 3-[[(1E)-3-methoxy-1-[(Z)-1-methoxyprop-1-enyl]buta-1,3-dienyl]amino]isocarbostyril Formula: C18H20N2O3 MolecularWeight: 312.363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-5-16(23-4)15(10-12(2)22-3)19-17-11-13-8-6-7-9-14(13)18(21)20-17/h5-11H,2H2,1,3-4H3,(H2,19,20,21)/b15-10+,16-5-