2-(5-cyano-4-isoquinolin-1-ylcarbonyl-3-methyl-hexanoyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(5-cyano-4-isoquinolin-1-ylcarbonyl-3-methyl-hexanoyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[5-cyano-4-(isoquinoline-1-carbonyl)-3-methyl-hexanoyl]-1H-isoquinoline-1-carbonitrile CAS Name: 2-[5-cyano-4-[1-isoquinolinyl(oxo)methyl]-3-methyl-1-oxohexyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[5-cyano-4-(isoquinoline-1-carbonyl)-3-methylhexanoyl]-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[5-cyano-4-(isoquinoline-1-carbonyl)-3-methyl-hexanoyl]-1H-isoquinoline-1-carbonitrile Formula: C28H24N4O2 MolecularWeight: 448.51576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1C=CC2=CC=CC=C2C1C#N)C(C(C)C#N)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(CC(=O)N1C=CC2=CC=CC=C2C1C#N)C(C(C)C#N)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C28H24N4O2/c1-18(15-25(33)32-14-12-21-8-3-5-9-22(21)24(32)17-30)26(19(2)16-29)28(34)27-23-10-6-4-7-20(23)11-13-31-27/h3-14,18-19,24,26H,15H2,1-2H3