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

Systemtic Name: 3-[4-(octadecylamino)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(octadecylamino)phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-(octadecylamino)phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(octadecylamino)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(stearylamino)phenyl]propionitrile Formula: C27H44N2O MolecularWeight: 412.65106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)CC#N

InChI

InChI=1S/C27H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-26-20-18-25(19-21-26)27(30)22-23-28/h18-21,29H,2-17,22,24H2,1H3