(1S,3R)-3-methyl-2-oxidanylidene-1-(phenylmethyl)cycloheptane-1-carbonitrile

Systemtic Name: (1S,3R)-3-methyl-2-oxidanylidene-1-(phenylmethyl)cycloheptane-1-carbonitrile Openeye Name: (1S,3R)-1-benzyl-3-methyl-2-oxo-cycloheptanecarbonitrile CAS Name: (1S,3R)-3-methyl-2-oxo-1-(phenylmethyl)-1-cycloheptanecarbonitrile IUPAC Name: (1S,3R)-1-benzyl-3-methyl-2-oxocycloheptane-1-carbonitrile Traditional Name: (1S,3R)-1-benzyl-2-keto-3-methyl-cycloheptanecarbonitrile Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(C1=O)(CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@@H]1CCCC[C@](C1=O)(CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H19NO/c1-13-7-5-6-10-16(12-17,15(13)18)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-11H2,1H3/t13-,16+/m1/s1