(E)-3-[4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-1-[4-oxidanyl-3,5-di(pentan-3-yloxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-[4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-1-[4-oxidanyl-3,5-di(pentan-3-yloxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-[3,5-bis(1-ethylpropoxy)-4-hydroxy-phenyl]-3-[4-[2-(4-chlorophenyl)-2-oxo-ethyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-[2-(4-chlorophenyl)-2-oxoethyl]-1-piperazinyl]-1-[4-hydroxy-3,5-di(pentan-3-yloxy)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-1-[4-hydroxy-3,5-di(pentan-3-yloxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-[3,5-bis(1-ethylpropoxy)-4-hydroxy-phenyl]-3-[4-[2-(4-chlorophenyl)-2-keto-ethyl]piperazino]prop-2-en-1-one Formula: C31H41ClN2O5 MolecularWeight: 557.12064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC(=CC(=C1O)OC(CC)CC)C(=O)C=CN2CCN(CC2)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(CC)OC1=CC(=CC(=C1O)OC(CC)CC)C(=O)/C=C/N2CCN(CC2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C31H41ClN2O5/c1-5-25(6-2)38-29-19-23(20-30(31(29)37)39-26(7-3)8-4)27(35)13-14-33-15-17-34(18-16-33)21-28(36)22-9-11-24(32)12-10-22/h9-14,19-20,25-26,37H,5-8,15-18,21H2,1-4H3/b14-13+