1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-7-thiophen-2-yl-heptane-1,4,7-trione

Systemtic Name: 1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-7-thiophen-2-yl-heptane-1,4,7-trione Openeye Name: 1-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-7-(2-thienyl)heptane-1,4,7-trione CAS Name: 1-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-7-thiophen-2-ylheptane-1,4,7-trione IUPAC Name: 1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-7-thiophen-2-ylheptane-1,4,7-trione Traditional Name: 1-[3-(1,3-benzoxazol-2-yl)piperidino]-7-(2-thienyl)heptane-1,4,7-trione Formula: C23H24N2O4S MolecularWeight: 424.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)CCC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC(=O)CCC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N2O4S/c26-17(9-11-19(27)21-8-4-14-30-21)10-12-22(28)25-13-3-5-16(15-25)23-24-18-6-1-2-7-20(18)29-23/h1-2,4,6-8,14,16H,3,5,9-13,15H2