1-[1-(2-cyanophenyl)ethyl]-2-(2-methylphenyl)carbonyl-isoquinoline-1-carbonitrile

Systemtic Name: 1-[1-(2-cyanophenyl)ethyl]-2-(2-methylphenyl)carbonyl-isoquinoline-1-carbonitrile Openeye Name: 1-[1-(2-cyanophenyl)ethyl]-2-(2-methylbenzoyl)isoquinoline-1-carbonitrile CAS Name: 1-[1-(2-cyanophenyl)ethyl]-2-[(2-methylphenyl)-oxomethyl]-1-isoquinolinecarbonitrile IUPAC Name: 1-[1-(2-cyanophenyl)ethyl]-2-(2-methylbenzoyl)isoquinoline-1-carbonitrile Traditional Name: 1-[1-(2-cyanophenyl)ethyl]-2-o-toluoyl-isoquinoline-1-carbonitrile Formula: C27H21N3O MolecularWeight: 403.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H21N3O/c1-19-9-3-6-12-23(19)26(31)30-16-15-21-10-5-8-14-25(21)27(30,18-29)20(2)24-13-7-4-11-22(24)17-28/h3-16,20H,1-2H3