1-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]-2,2-dipyridin-3-yl-ethanone

Systemtic Name: 1-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]-2,2-dipyridin-3-yl-ethanone Openeye Name: 1-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]-2,2-bis(3-pyridyl)ethanone CAS Name: 1-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-2,2-bis(3-pyridinyl)ethanone IUPAC Name: 1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-dipyridin-3-ylethanone Traditional Name: 1-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]-2,2-bis(3-pyridyl)ethanone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CN=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CN=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N5O3/c34-23(20-36-26-9-1-8-25-24(26)7-4-12-31-25)19-32-13-15-33(16-14-32)28(35)27(21-5-2-10-29-17-21)22-6-3-11-30-18-22/h1-12,17-18,23,27,34H,13-16,19-20H2