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

Systemtic Name: (E)-1-[4-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]-3-(3,5-dibutoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[2-(4-chlorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]-3-(3,5-dibutoxy-4-hydroxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-piperazinyl]-3-(3,5-dibutoxy-4-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-(3,5-dibutoxy-4-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[2-(4-chlorophenyl)-2-hydroxy-ethyl]piperazino]-3-(3,5-dibutoxy-4-hydroxy-phenyl)prop-2-en-1-one Formula: C29H39ClN2O5 MolecularWeight: 531.08336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39ClN2O5/c1-3-5-17-36-26-19-22(20-27(29(26)35)37-18-6-4-2)7-12-28(34)32-15-13-31(14-16-32)21-25(33)23-8-10-24(30)11-9-23/h7-12,19-20,25,33,35H,3-6,13-18,21H2,1-2H3/b12-7+