2-[3-(3-ethyl-5-propyl-phenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine

Systemtic Name: 2-[3-(3-ethyl-5-propyl-phenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine Openeye Name: 2-[3-(3-ethyl-5-propyl-phenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine CAS Name: 2-[3-(3-ethyl-5-propylphenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine IUPAC Name: 2-[3-(3-ethyl-5-propylphenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine Traditional Name: 2-[3-(3-ethyl-5-propyl-phenyl)propyl]-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopent[c]azepine Formula: C29H41N MolecularWeight: 403.64254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)CC)CCCN2CCCC3(CCCC3C2)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=CC(=C1)CC)CCCN2CCCC3(CCCC3C2)C4=CC=CC=C4

InChI

InChI=1S/C29H41N/c1-3-11-25-20-24(4-2)21-26(22-25)12-9-18-30-19-10-17-29(16-8-15-28(29)23-30)27-13-6-5-7-14-27/h5-7,13-14,20-22,28H,3-4,8-12,15-19,23H2,1-2H3