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

Systemtic Name: 1-butyl-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-butyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-butyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-butyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-butyl-3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C14H18N2O MolecularWeight: 230.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=O)N1)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=O)N1)C#N

InChI

InChI=1S/C14H18N2O/c1-2-3-8-13-11-7-5-4-6-10(11)12(9-15)14(17)16-13/h2-8H2,1H3,(H,16,17)