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

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]isoquinolin-1-yl]oxypropan-2-ol Openeye Name: 1-[[3-(4-benzhydrylpiperazin-1-yl)-1-isoquinolyl]oxy]propan-2-ol CAS Name: 1-[[3-[4-(diphenylmethyl)-1-piperazinyl]-1-isoquinolinyl]oxy]-2-propanol IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)isoquinolin-1-yl]oxypropan-2-ol Traditional Name: 1-[[3-(4-benzhydrylpiperazino)-1-isoquinolyl]oxy]propan-2-ol Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=NC(=CC2=CC=CC=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(COC1=NC(=CC2=CC=CC=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H31N3O2/c1-22(33)21-34-29-26-15-9-8-14-25(26)20-27(30-29)31-16-18-32(19-17-31)28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20,22,28,33H,16-19,21H2,1H3