5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine

Systemtic Name: 5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine Openeye Name: 5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine CAS Name: 5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine IUPAC Name: 5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine Traditional Name: 5a-(3-methoxyphenyl)-2-phenethyl-1,3,4,5,6,7,8,8a-octahydrocyclopent[c]azepine Formula: C24H31NO MolecularWeight: 349.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C23CCCC2CN(CCC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C23CCCC2CN(CCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31NO/c1-26-23-12-5-10-21(18-23)24-14-6-11-22(24)19-25(16-7-15-24)17-13-20-8-3-2-4-9-20/h2-5,8-10,12,18,22H,6-7,11,13-17,19H2,1H3