(2S)-4-(dihexylamino)-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2S)-4-(dihexylamino)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-(dihexylamino)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-(dihexylamino)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-(dihexylamino)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(dihexylamino)-3-keto-2-phenyl-butyronitrile Formula: C22H34N2O MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CC(=O)C(C#N)C1=CC=CC=C1

Isomeric SMILES

CCCCCCN(CCCCCC)CC(=O)[C@H](C#N)C1=CC=CC=C1

InChI

InChI=1S/C22H34N2O/c1-3-5-7-12-16-24(17-13-8-6-4-2)19-22(25)21(18-23)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-17,19H2,1-2H3/t21-/m1/s1