3-[4-(hexadecan-2-ylamino)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(hexadecan-2-ylamino)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(1-methylpentadecylamino)phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-(hexadecan-2-ylamino)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(hexadecan-2-ylamino)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(1-methylpentadecylamino)phenyl]propionitrile Formula: C25H40N2O MolecularWeight: 384.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)CC#N

InChI

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