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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C(=O)NC(=C2C1)C)C#N

Isomeric SMILES

CCC1CCC2=C(C(=O)NC(=C2C1)C)C#N

InChI

InChI=1S/C13H16N2O/c1-3-9-4-5-10-11(6-9)8(2)15-13(16)12(10)7-14/h9H,3-6H2,1-2H3,(H,15,16)