2-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-acetylpiperazino)ethylamino]methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4/c1-16(26)25-11-9-24(10-12-25)8-7-23-15-20-21(27)13-18(14-22(20)28)17-3-5-19(29-2)6-4-17/h3-6,15,18,23H,7-14H2,1-2H3