2-butyl-3-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 2-butyl-3-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 2-butyl-3-keto-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2CCCCC2=C(C1=O)C#N

Isomeric SMILES

CCCCN1C=C2CCCCC2=C(C1=O)C#N

InChI

InChI=1S/C14H18N2O/c1-2-3-8-16-10-11-6-4-5-7-12(11)13(9-15)14(16)17/h10H,2-8H2,1H3