6-[(E)-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-4-piperidin-1-yl-but-2-enyl]-5-phenylmethoxy-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-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 5-benzyloxy-6-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-(1-piperidyl)but-2-enyl]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-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-piperidin-1-ylbut-2-enyl]-5-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: 5-benzoxy-6-[(E)-4-(6-fluoroindoxazen-3-yl)-4-piperidino-but-2-enyl]cyclohexa-2,4-dien-1-one Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C=CCC2C(=O)C=CC=C2OCC3=CC=CC=C3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

C1CCN(CC1)C(/C=C/CC2C(=O)C=CC=C2OCC3=CC=CC=C3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C29H29FN2O3/c30-22-15-16-24-28(19-22)35-31-29(24)25(32-17-5-2-6-18-32)12-7-11-23-26(33)13-8-14-27(23)34-20-21-9-3-1-4-10-21/h1,3-4,7-10,12-16,19,23,25H,2,5-6,11,17-18,20H2/b12-7+