2-[4-[4-[(1-cyano-1H-isoquinolin-2-yl)carbonyl]phenoxy]phenyl]carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[4-[4-[(1-cyano-1H-isoquinolin-2-yl)carbonyl]phenoxy]phenyl]carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[4-[4-(1-cyano-1H-isoquinoline-2-carbonyl)phenoxy]benzoyl]-1H-isoquinoline-1-carbonitrile CAS Name: 2-[[4-[4-[(1-cyano-1H-isoquinolin-2-yl)-oxomethyl]phenoxy]phenyl]-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[4-[4-(1-cyano-1H-isoquinoline-2-carbonyl)phenoxy]benzoyl]-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[4-[4-(1-cyano-1H-isoquinoline-2-carbonyl)phenoxy]benzoyl]-1H-isoquinoline-1-carbonitrile Formula: C34H22N4O3 MolecularWeight: 534.56348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)N5C=CC6=CC=CC=C6C5C#N)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)N5C=CC6=CC=CC=C6C5C#N)C#N

InChI

InChI=1S/C34H22N4O3/c35-21-31-29-7-3-1-5-23(29)17-19-37(31)33(39)25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)34(40)38-20-18-24-6-2-4-8-30(24)32(38)22-36/h1-20,31-32H