1-[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazino]-3-phenoxy-propan-2-ol Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCN(CC3)CC(COC4=CC=CC=C4)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCN(CC3)CC(COC4=CC=CC=C4)O)O

InChI

InChI=1S/C25H31N3O4/c1-31-21-7-8-24-23(15-21)22(9-10-26-24)25(30)17-28-13-11-27(12-14-28)16-19(29)18-32-20-5-3-2-4-6-20/h2-10,15,19,25,29-30H,11-14,16-18H2,1H3