1-(4-ethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-ethylphenyl)-4-[4-(3-pyridylmethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-ethylphenyl)-4-[4-(3-pyridinylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-ethylphenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-ethylphenyl)-4-[4-(3-pyridylmethyl)piperazino]butane-1,4-dione Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-2-18-5-7-20(8-6-18)21(26)9-10-22(27)25-14-12-24(13-15-25)17-19-4-3-11-23-16-19/h3-8,11,16H,2,9-10,12-15,17H2,1H3