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

Systemtic Name: 6-(azepan-1-ylmethyl)-2-(3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-5-ol Openeye Name: 6-(azepan-1-ylmethyl)-2-(3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-5-ol CAS Name: 6-(1-azepanylmethyl)-2-(3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-5-ol IUPAC Name: 6-(azepan-1-ylmethyl)-2-(3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-5-ol Traditional Name: 6-(azepan-1-ylmethyl)-2-(3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-5-ol Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O/c34-31-28(24-32-19-9-1-2-10-20-32)16-15-27-23-33(22-18-30(27)31)21-17-29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-16,29,34H,1-2,9-10,17-24H2