5-(cyanomethyl)-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 5-(cyanomethyl)-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-5-(cyanomethyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5-(cyanomethyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-5-(cyanomethyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-5-(cyanomethyl)-1H-isoquinoline-1-carbonitrile Formula: C19H13N3O MolecularWeight: 299.32602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=CC=C3CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=CC=C3CC#N

InChI

InChI=1S/C19H13N3O/c20-11-9-14-7-4-8-17-16(14)10-12-22(18(17)13-21)19(23)15-5-2-1-3-6-15/h1-8,10,12,18H,9H2