6-[(E)-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-4-piperidin-1-yl-but-2-enyl]-5-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(E)-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-4-piperidin-1-yl-but-2-enyl]-5-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-(1-piperidyl)but-2-enyl]-5-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-(1-piperidinyl)but-2-enyl]-5-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-piperidin-1-ylbut-2-enyl]-5-hydroxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(E)-4-(6-fluoroindoxazen-3-yl)-4-piperidino-but-2-enyl]-5-hydroxy-cyclohexa-2,4-dien-1-one Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C=CCC2C(=O)C=CC=C2O)C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

C1CCN(CC1)C(/C=C/CC2C(=O)C=CC=C2O)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H23FN2O3/c23-15-10-11-17-21(14-15)28-24-22(17)18(25-12-2-1-3-13-25)7-4-6-16-19(26)8-5-9-20(16)27/h4-5,7-11,14,16,18,26H,1-3,6,12-13H2/b7-4+