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

Systemtic Name: N-[1-(4-tridecylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[1-(4-tridecylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[1-(4-tridecylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[1-(4-tridecylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 3,4,5,6-tetrahydro-2H-azepin-7-yl-[1-(4-tridecylphenyl)ethyl]amine Formula: C27H46N2 MolecularWeight: 398.66754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)C(C)NC2=NCCCCC2

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)C(C)NC2=NCCCCC2

InChI

InChI=1S/C27H46N2/c1-3-4-5-6-7-8-9-10-11-12-14-17-25-19-21-26(22-20-25)24(2)29-27-18-15-13-16-23-28-27/h19-22,24H,3-18,23H2,1-2H3,(H,28,29)