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

Systemtic Name: 5-[(E)-4-(6-fluoranyl-1,2-benzoxazol-3-yl)-4-piperidin-1-yl-but-2-enyl]-6-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 5-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-(1-piperidyl)but-2-enyl]-6-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 5-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-(1-piperidinyl)but-2-enyl]-6-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 5-[(E)-4-(6-fluoro-1,2-benzoxazol-3-yl)-4-piperidin-1-ylbut-2-enyl]-6-methoxycyclohexa-2,4-dien-1-one Traditional Name: 5-[(E)-4-(6-fluoroindoxazen-3-yl)-4-piperidino-but-2-enyl]-6-methoxy-cyclohexa-2,4-dien-1-one Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(=O)C=CC=C1CC=CC(C2=NOC3=C2C=CC(=C3)F)N4CCCCC4

Isomeric SMILES

COC1C(=O)C=CC=C1C/C=C/C(C2=NOC3=C2C=CC(=C3)F)N4CCCCC4

InChI

InChI=1S/C23H25FN2O3/c1-28-23-16(8-6-10-20(23)27)7-5-9-19(26-13-3-2-4-14-26)22-18-12-11-17(24)15-21(18)29-25-22/h5-6,8-12,15,19,23H,2-4,7,13-14H2,1H3/b9-5+