1-[4-(diphenylmethyl)piperazin-1-yl]-3-isoquinolin-1-yloxy-propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-isoquinolin-1-yloxy-propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(1-isoquinolyloxy)propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(1-isoquinolinyloxy)-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-isoquinolin-1-yloxypropan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(1-isoquinolyloxy)propan-2-ol Formula: C29H31N3O2 MolecularWeight: 453.57534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=NC=CC3=CC=CC=C32)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=NC=CC3=CC=CC=C32)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c33-26(22-34-29-27-14-8-7-9-23(27)15-16-30-29)21-31-17-19-32(20-18-31)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,26,28,33H,17-22H2