2-(4-cyanophenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-cyanophenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-cyanobenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(4-cyanophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-cyanobenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-cyanobenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C18H11N3O MolecularWeight: 285.29944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C18H11N3O/c19-11-13-5-7-15(8-6-13)18(22)21-10-9-14-3-1-2-4-16(14)17(21)12-20/h1-10,17H