2-decanoyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-decanoyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-decanoyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-(1-oxodecyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-decanoyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-capryl-1H-isoquinoline-1-carbonitrile Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

CCCCCCCCCC(=O)N1C=CC2=CC=CC=C2C1C#N

InChI

InChI=1S/C20H26N2O/c1-2-3-4-5-6-7-8-13-20(23)22-15-14-17-11-9-10-12-18(17)19(22)16-21/h9-12,14-15,19H,2-8,13H2,1H3