3-oxidanylidene-2-propyl-isoquinoline-4-carbonitrile

Systemtic Name: 3-oxidanylidene-2-propyl-isoquinoline-4-carbonitrile Openeye Name: 3-oxo-2-propyl-isoquinoline-4-carbonitrile CAS Name: 3-oxo-2-propyl-4-isoquinolinecarbonitrile IUPAC Name: 3-oxo-2-propylisoquinoline-4-carbonitrile Traditional Name: 3-keto-2-propyl-isoquinoline-4-carbonitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C2C=CC=CC2=C(C1=O)C#N

Isomeric SMILES

CCCN1C=C2C=CC=CC2=C(C1=O)C#N

InChI

InChI=1S/C13H12N2O/c1-2-7-15-9-10-5-3-4-6-11(10)12(8-14)13(15)16/h3-6,9H,2,7H2,1H3