7-oxidanylidene-2-phenyl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-oxidanylidene-2-phenyl-2-propan-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-oxo-2-phenyl-heptanenitrile CAS Name: 7-oxo-2-phenyl-2-propan-2-ylheptanenitrile IUPAC Name: 7-oxo-2-phenyl-2-propan-2-ylheptanenitrile Traditional Name: 2-isopropyl-7-keto-2-phenyl-enanthonitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC=O)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCCCC=O)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO/c1-14(2)16(13-17,11-7-4-8-12-18)15-9-5-3-6-10-15/h3,5-6,9-10,12,14H,4,7-8,11H2,1-2H3