1-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]-4-isoquinolin-4-yl-piperidin-4-ol

Systemtic Name: 1-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]-4-isoquinolin-4-yl-piperidin-4-ol Openeye Name: 1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol CAS Name: 1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-(4-isoquinolinyl)-4-piperidinol IUPAC Name: 1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol Traditional Name: 1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CN=CC3=CC=CC=C32)O)CC(COC4=CC=CC5=C4C=CN5)O

Isomeric SMILES

C1CN(CCC1(C2=CN=CC3=CC=CC=C32)O)C[C@@H](COC4=CC=CC5=C4C=CN5)O

InChI

InChI=1S/C25H27N3O3/c29-19(17-31-24-7-3-6-23-21(24)8-11-27-23)16-28-12-9-25(30,10-13-28)22-15-26-14-18-4-1-2-5-20(18)22/h1-8,11,14-15,19,27,29-30H,9-10,12-13,16-17H2/t19-/m0/s1