2-chloranyl-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]ethanamide

Systemtic Name: 2-chloranyl-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]ethanamide Openeye Name: 2-chloro-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]acetamide CAS Name: 2-chloro-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]acetamide IUPAC Name: 2-chloro-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]acetamide Traditional Name: 2-chloro-N-[5,7,7-tricyano-8-(4-hydroxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]acetamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)NC(=O)CCl)(C#N)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2C#N)NC(=O)CCl)(C#N)C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H18ClN5O2/c1-27-7-6-15-16(9-23)20(26-18(29)8-22)21(11-24,12-25)19(17(15)10-27)13-2-4-14(28)5-3-13/h2-6,17,19,28H,7-8,10H2,1H3,(H,26,29)