4-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]butanenitrile

Systemtic Name: 4-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]butanenitrile Openeye Name: 4-(4,4-dimethyl-1,3-dioxo-2-isoquinolyl)butanenitrile CAS Name: 4-(4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)butanenitrile IUPAC Name: 4-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)butanenitrile Traditional Name: 4-(1,3-diketo-4,4-dimethyl-2-isoquinolyl)butyronitrile Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCC#N)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCC#N)C

InChI

InChI=1S/C15H16N2O2/c1-15(2)12-8-4-3-7-11(12)13(18)17(14(15)19)10-6-5-9-16/h3-4,7-8H,5-6,10H2,1-2H3