N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]-3,4,5-trimethoxy-benzamide Formula: C21H25BrN4O5 MolecularWeight: 493.351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O5/c1-29-16-10-14(11-17(30-2)20(16)31-3)21(28)24-13-19(27)26-8-6-25(7-9-26)18-5-4-15(22)12-23-18/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)