3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(hexadecylamino)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(hexadecylamino)phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-(hexadecylamino)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(hexadecylamino)phenyl]-3-oxopropanenitrile Traditional Name: 3-[4-(cetylamino)phenyl]-3-keto-propionitrile Formula: C25H40N2O MolecularWeight: 384.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-24-18-16-23(17-19-24)25(28)20-21-26/h16-19,27H,2-15,20,22H2,1H3