3-[4-(15-methylhexadecylamino)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(15-methylhexadecylamino)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(15-methylhexadecylamino)phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(15-methylhexadecylamino)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(15-methylhexadecylamino)phenyl]propionitrile Formula: C26H42N2O MolecularWeight: 398.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC#N

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC#N

InChI

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