(E)-1-[4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-4-phenyl-but-3-en-1-one

Systemtic Name: (E)-1-[4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-4-phenyl-but-3-en-1-one Openeye Name: (E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-1-yl]-4-phenyl-but-3-en-1-one CAS Name: (E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-1-piperazinyl]-4-phenyl-3-buten-1-one IUPAC Name: (E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one Traditional Name: (E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazino]-4-phenyl-but-3-en-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCN(CC3)C(=O)CC=CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CCN(CC3)C(=O)C/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C26H29N3O3/c1-32-21-10-11-24-23(18-21)22(12-13-27-24)25(30)19-28-14-16-29(17-15-28)26(31)9-5-8-20-6-3-2-4-7-20/h2-8,10-13,18,25,30H,9,14-17,19H2,1H3/b8-5+/t25-/m0/s1