(E)-3-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]oct-5-en-7-yn-4-one

Systemtic Name: (E)-3-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]oct-5-en-7-yn-4-one Openeye Name: (E)-3-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]oct-5-en-7-yn-4-one CAS Name: (E)-3-[3-(3,4,5-trimethoxyphenyl)-1-piperazinyl]-4-oct-5-en-7-ynone IUPAC Name: (E)-3-[3-(3,4,5-trimethoxyphenyl)piperazin-1-yl]oct-5-en-7-yn-4-one Traditional Name: (E)-3-[3-(3,4,5-trimethoxyphenyl)piperazino]oct-5-en-7-yn-4-one Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C=CC#C)N1CCNC(C1)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(C(=O)/C=C/C#C)N1CCNC(C1)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-6-8-9-18(24)17(7-2)23-11-10-22-16(14-23)15-12-19(25-3)21(27-5)20(13-15)26-4/h1,8-9,12-13,16-17,22H,7,10-11,14H2,2-5H3/b9-8+