(E)-1-[3-methyl-2-piperazin-1-yl-5-(3,4,5-trimethoxyphenyl)phenyl]pent-2-en-4-yn-1-one

Systemtic Name: (E)-1-[3-methyl-2-piperazin-1-yl-5-(3,4,5-trimethoxyphenyl)phenyl]pent-2-en-4-yn-1-one Openeye Name: (E)-1-[3-methyl-2-piperazin-1-yl-5-(3,4,5-trimethoxyphenyl)phenyl]pent-2-en-4-yn-1-one CAS Name: (E)-1-[3-methyl-2-(1-piperazinyl)-5-(3,4,5-trimethoxyphenyl)phenyl]-1-pent-2-en-4-ynone IUPAC Name: (E)-1-[3-methyl-2-piperazin-1-yl-5-(3,4,5-trimethoxyphenyl)phenyl]pent-2-en-4-yn-1-one Traditional Name: (E)-1-[3-methyl-2-piperazino-5-(3,4,5-trimethoxyphenyl)phenyl]pent-2-en-4-yn-1-one Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCNCC2)C(=O)C=CC#C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC(=C1N2CCNCC2)C(=O)/C=C/C#C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-6-7-8-21(28)20-14-18(13-17(2)24(20)27-11-9-26-10-12-27)19-15-22(29-3)25(31-5)23(16-19)30-4/h1,7-8,13-16,26H,9-12H2,2-5H3/b8-7+