1-(2-methylpropyl)-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=O)N1)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=O)N1)C#N

InChI

InChI=1S/C14H18N2O/c1-9(2)7-13-11-6-4-3-5-10(11)12(8-15)14(17)16-13/h9H,3-7H2,1-2H3,(H,16,17)