ethyl (E)-3-[[azanyl(3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[azanyl(3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[[amino(3,4-dihydro-1H-isoquinolin-2-yl)methylene]amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[[amino(3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[amino(3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[[amino(3,4-dihydro-1H-isoquinolin-2-yl)methylene]amino]-2-cyano-acrylic acid ethyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN=C(N)N1CCC2=CC=CC=C2C1)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N=C(N)N1CCC2=CC=CC=C2C1)/C#N

InChI

InChI=1S/C16H18N4O2/c1-2-22-15(21)14(9-17)10-19-16(18)20-8-7-12-5-3-4-6-13(12)11-20/h3-6,10H,2,7-8,11H2,1H3,(H2,18,19)/b14-10+