N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[1-(4-dodecoxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 1-(4-lauryloxyphenyl)ethyl-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C26H44N2O MolecularWeight: 400.64036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C)NC2=NCCCCC2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C)NC2=NCCCCC2

InChI

InChI=1S/C26H44N2O/c1-3-4-5-6-7-8-9-10-11-15-22-29-25-19-17-24(18-20-25)23(2)28-26-16-13-12-14-21-27-26/h17-20,23H,3-16,21-22H2,1-2H3,(H,27,28)