2-[[3,5-bis(chloranyl)-4-(4-methoxyphenyl)phenyl]methyl]-1-cyclohexyl-azepane

Systemtic Name: 2-[[3,5-bis(chloranyl)-4-(4-methoxyphenyl)phenyl]methyl]-1-cyclohexyl-azepane Openeye Name: 1-cyclohexyl-2-[[3,5-dichloro-4-(4-methoxyphenyl)phenyl]methyl]azepane CAS Name: 1-cyclohexyl-2-[[3,5-dichloro-4-(4-methoxyphenyl)phenyl]methyl]azepane IUPAC Name: 1-cyclohexyl-2-[[3,5-dichloro-4-(4-methoxyphenyl)phenyl]methyl]azepane Traditional Name: 1-cyclohexyl-2-[3,5-dichloro-4-(4-methoxyphenyl)benzyl]azepane Formula: C26H33Cl2NO MolecularWeight: 446.45232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C(C=C2Cl)CC3CCCCCN3C4CCCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C(C=C2Cl)CC3CCCCCN3C4CCCCC4)Cl

InChI

InChI=1S/C26H33Cl2NO/c1-30-23-13-11-20(12-14-23)26-24(27)17-19(18-25(26)28)16-22-10-6-3-7-15-29(22)21-8-4-2-5-9-21/h11-14,17-18,21-22H,2-10,15-16H2,1H3