4-[4-(hexadecylamino)phenyl]-2-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-(hexadecylamino)phenyl]-2-oxidanylidene-butanenitrile Openeye Name: 3-[4-(hexadecylamino)phenyl]propanoyl cyanide CAS Name: 4-[4-(hexadecylamino)phenyl]-2-oxobutanenitrile IUPAC Name: 3-[4-(hexadecylamino)phenyl]propanoyl cyanide Traditional Name: 4-[4-(cetylamino)phenyl]-2-keto-butyronitrile Formula: C26H42N2O MolecularWeight: 398.62448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)C#N

InChI

InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-19-16-24(17-20-25)18-21-26(29)23-27/h16-17,19-20,28H,2-15,18,21-22H2,1H3