3-oxidanylidene-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 3-oxidanylidene-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 3-keto-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=O)N1)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=O)N1)C#N

InChI

InChI=1S/C13H16N2O/c1-2-5-12-10-7-4-3-6-9(10)11(8-14)13(16)15-12/h2-7H2,1H3,(H,15,16)