2-butyl-3-oxidanylidene-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile

Systemtic Name: 2-butyl-3-oxidanylidene-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile Openeye Name: 2-butyl-3-oxo-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile CAS Name: 2-butyl-3-oxo-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile IUPAC Name: 2-butyl-3-oxo-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile Traditional Name: 2-butyl-3-keto-1,5,6,7-tetrahydroisoquinoline-8-carbonitrile Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(CCCC2=CC1=O)C#N

Isomeric SMILES

CCCCN1CC2=C(CCCC2=CC1=O)C#N

InChI

InChI=1S/C14H18N2O/c1-2-3-7-16-10-13-11(8-14(16)17)5-4-6-12(13)9-15/h8H,2-7,10H2,1H3