(E)-1-(3,5-dibutoxy-4-oxidanyl-phenyl)-3-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(3,5-dibutoxy-4-oxidanyl-phenyl)-3-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(3,5-dibutoxy-4-hydroxy-phenyl)-3-[4-[2-(4-fluorophenyl)-2-oxo-ethyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-(3,5-dibutoxy-4-hydroxyphenyl)-3-[4-[2-(4-fluorophenyl)-2-oxoethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(3,5-dibutoxy-4-hydroxyphenyl)-3-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-(3,5-dibutoxy-4-hydroxy-phenyl)-3-[4-[2-(4-fluorophenyl)-2-keto-ethyl]piperazino]prop-2-en-1-one Formula: C29H37FN2O5 MolecularWeight: 512.612883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1O)OCCCC)C(=O)C=CN2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC(=CC(=C1O)OCCCC)C(=O)/C=C/N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C29H37FN2O5/c1-3-5-17-36-27-19-23(20-28(29(27)35)37-18-6-4-2)25(33)11-12-31-13-15-32(16-14-31)21-26(34)22-7-9-24(30)10-8-22/h7-12,19-20,35H,3-6,13-18,21H2,1-2H3/b12-11+