6-(azepan-1-ylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol

Systemtic Name: 6-(azepan-1-ylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol Openeye Name: 6-(azepan-1-ylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol CAS Name: 6-(1-azepanylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol IUPAC Name: 6-(azepan-1-ylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol Traditional Name: 6-(azepan-1-ylmethyl)-2-[4-(4-methoxyphenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCN2CCC3=C(C2)C=CC(=C3O)CN4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCCCN2CCC3=C(C2)C=CC(=C3O)CN4CCCCCC4

InChI

InChI=1S/C27H38N2O2/c1-31-25-13-9-22(10-14-25)8-4-7-18-29-19-15-26-23(20-29)11-12-24(27(26)30)21-28-16-5-2-3-6-17-28/h9-14,30H,2-8,15-21H2,1H3