ethyl (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(5,6,7,8-tetrahydroisoquinolin-1-ylamino)acrylic acid ethyl ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=CC2=C1CCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC=CC2=C1CCCC2)/C#N

InChI

InChI=1S/C15H17N3O2/c1-2-20-15(19)12(9-16)10-18-14-13-6-4-3-5-11(13)7-8-17-14/h7-8,10H,2-6H2,1H3,(H,17,18)/b12-10+