[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C22H28BrN3O4 MolecularWeight: 478.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O4/c1-4-28-18-13-16(14-19(29-5-2)21(18)30-6-3)22(27)26-11-9-25(10-12-26)20-8-7-17(23)15-24-20/h7-8,13-15H,4-6,9-12H2,1-3H3