5-[1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]hept-2-yn-4-yl]-6-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 5-[1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]hept-2-yn-4-yl]-6-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-1-propyl-but-2-ynyl]-6-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 5-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]hept-2-yn-4-yl]-6-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 5-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hept-2-yn-4-yl]-6-methoxycyclohexa-2,4-dien-1-one Traditional Name: 5-[4-[4-(6-fluoroindoxazen-3-yl)piperidino]-1-propyl-but-2-ynyl]-6-methoxy-cyclohexa-2,4-dien-1-one Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#CCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)C4=CC=CC(=O)C4OC

Isomeric SMILES

CCCC(C#CCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F)C4=CC=CC(=O)C4OC

InChI

InChI=1S/C26H29FN2O3/c1-3-6-18(21-8-4-9-23(30)26(21)31-2)7-5-14-29-15-12-19(13-16-29)25-22-11-10-20(27)17-24(22)32-28-25/h4,8-11,17-19,26H,3,6,12-16H2,1-2H3