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

Systemtic Name: 6-(azepan-1-ylmethyl)-2-(4,4-diphenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Openeye Name: 6-(azepan-1-ylmethyl)-2-(4,4-diphenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol CAS Name: 6-(1-azepanylmethyl)-2-(4,4-diphenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol IUPAC Name: 6-(azepan-1-ylmethyl)-2-(4,4-diphenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Traditional Name: 6-(azepan-1-ylmethyl)-2-(4,4-diphenylbutyl)-3,4-dihydro-1H-isoquinolin-5-ol Formula: C32H40N2O MolecularWeight: 468.6728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C3=C(CN(CC3)CCCC(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C3=C(CN(CC3)CCCC(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)O

InChI

InChI=1S/C32H40N2O/c35-32-29(25-33-20-9-1-2-10-21-33)18-17-28-24-34(23-19-31(28)32)22-11-16-30(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,17-18,30,35H,1-2,9-11,16,19-25H2