2-ethanoyl-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-ethanoyl-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 2-acetyl-1-benzyl-isoquinoline-1-carbonitrile CAS Name: 2-acetyl-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-acetyl-1-benzylisoquinoline-1-carbonitrile Traditional Name: 2-acetyl-1-benzyl-isoquinoline-1-carbonitrile Formula: C19H16N2O MolecularWeight: 288.34314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N2O/c1-15(22)21-12-11-17-9-5-6-10-18(17)19(21,14-20)13-16-7-3-2-4-8-16/h2-12H,13H2,1H3