3-[4-[1-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]piperidin-2-yl]phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[1-[(2S)-3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]piperidin-2-yl]phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-[1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-2-piperidyl]phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-2-piperidinyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-2-yl]phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-2-piperidyl]phenyl]-1H-pyridazin-6-one Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=C(C=C2)C3=NNC(=O)C=C3)CC(COC4=CC=CC5=C4C=CN5)O

Isomeric SMILES

C1CCN(C(C1)C2=CC=C(C=C2)C3=NNC(=O)C=C3)C[C@@H](COC4=CC=CC5=C4C=CN5)O

InChI

InChI=1S/C26H28N4O3/c31-20(17-33-25-6-3-4-23-21(25)13-14-27-23)16-30-15-2-1-5-24(30)19-9-7-18(8-10-19)22-11-12-26(32)29-28-22/h3-4,6-14,20,24,27,31H,1-2,5,15-17H2,(H,29,32)/t20-,24?/m0/s1