3-[(dihexadecylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-[(dihexadecylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(dihexadecylamino)methyl]benzonitrile CAS Name: 3-[(dihexadecylamino)methyl]benzonitrile IUPAC Name: 3-[(dihexadecylamino)methyl]benzonitrile Traditional Name: 3-[(dicetylamino)methyl]benzonitrile Formula: C40H72N2 MolecularWeight: 581.01308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C40H72N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-42(38-40-33-31-32-39(36-40)37-41)35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36H,3-30,34-35,38H2,1-2H3