3-[4-(hexadecylamino)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(hexadecylamino)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(cetylamino)phenyl]propiolonitrile Formula: C25H38N2 MolecularWeight: 366.58262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-27-25-20-18-24(19-21-25)17-16-22-26/h18-21,27H,2-15,23H2,1H3