6-(azepan-1-ylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol

Systemtic Name: 6-(azepan-1-ylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Openeye Name: 6-(azepan-1-ylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol CAS Name: 6-(1-azepanylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol IUPAC Name: 6-(azepan-1-ylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Traditional Name: 6-(azepan-1-ylmethyl)-2-(4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C3=C(CN(CC3)CCCCC4=CC=CC=C4)C=C2)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C3=C(CN(CC3)CCCCC4=CC=CC=C4)C=C2)O

InChI

InChI=1S/C26H36N2O/c29-26-24(21-27-16-7-1-2-8-17-27)14-13-23-20-28(19-15-25(23)26)18-9-6-12-22-10-4-3-5-11-22/h3-5,10-11,13-14,29H,1-2,6-9,12,15-21H2