2-prop-2-enoyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-prop-2-enoyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-prop-2-enoyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-(1-oxoprop-2-enyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-prop-2-enoyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-acryloyl-1H-isoquinoline-1-carbonitrile Formula: C13H10N2O MolecularWeight: 210.2313

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

C=CC(=O)N1C=CC2=CC=CC=C2C1C#N

InChI

InChI=1S/C13H10N2O/c1-2-13(16)15-8-7-10-5-3-4-6-11(10)12(15)9-14/h2-8,12H,1H2