6-azanyl-8-(2-iodanylphenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-iodanylphenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-iodophenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-iodophenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-iodophenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-iodophenyl)-2-phenacyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C26H20IN5O MolecularWeight: 545.37437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1CC(=O)C3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4I

Isomeric SMILES

C1C=C2C(CN1CC(=O)C3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4I

InChI

InChI=1S/C26H20IN5O/c27-22-9-5-4-8-19(22)24-21-13-32(14-23(33)17-6-2-1-3-7-17)11-10-18(21)20(12-28)25(31)26(24,15-29)16-30/h1-10,21,24H,11,13-14,31H2