4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbonitrile

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbonitrile Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)benzonitrile CAS Name: 4-[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(oxo)methyl]benzonitrile IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)benzonitrile Traditional Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)benzonitrile Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N2O/c18-11-13-5-7-15(8-6-13)17(20)19-10-9-14-3-1-2-4-16(14)12-19/h5-8,14,16H,1-4,9-10,12H2