1-[1-(2-cyanophenyl)ethyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[1-(2-cyanophenyl)ethyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[1-(2-cyanophenyl)ethyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[1-(2-cyanophenyl)ethyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[1-(2-cyanophenyl)ethyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[1-(2-cyanophenyl)ethyl]isoquinoline-1-carbonitrile Formula: C26H19N3O MolecularWeight: 389.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C#N)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C1=CC=CC=C1C#N)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H19N3O/c1-19(23-13-7-5-12-22(23)17-27)26(18-28)24-14-8-6-9-20(24)15-16-29(26)25(30)21-10-3-2-4-11-21/h2-16,19H,1H3