2-butyl-3,8-bis(oxidanylidene)-6,7-dihydro-5H-isoquinoline-4-carbonitrile

Systemtic Name: 2-butyl-3,8-bis(oxidanylidene)-6,7-dihydro-5H-isoquinoline-4-carbonitrile Openeye Name: 2-butyl-3,8-dioxo-6,7-dihydro-5H-isoquinoline-4-carbonitrile CAS Name: 2-butyl-3,8-dioxo-6,7-dihydro-5H-isoquinoline-4-carbonitrile IUPAC Name: 2-butyl-3,8-dioxo-6,7-dihydro-5H-isoquinoline-4-carbonitrile Traditional Name: 2-butyl-3,8-diketo-6,7-dihydro-5H-isoquinoline-4-carbonitrile Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=C(C1=O)C#N)CCCC2=O

Isomeric SMILES

CCCCN1C=C2C(=C(C1=O)C#N)CCCC2=O

InChI

InChI=1S/C14H16N2O2/c1-2-3-7-16-9-12-10(5-4-6-13(12)17)11(8-15)14(16)18/h9H,2-7H2,1H3