[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-(5-bromo-2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-(5-bromo-2-pyridyl)piperazino]methanone Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)OCC=C

InChI

InChI=1S/C20H22BrN3O3/c1-3-12-27-17-6-4-15(13-18(17)26-2)20(25)24-10-8-23(9-11-24)19-7-5-16(21)14-22-19/h3-7,13-14H,1,8-12H2,2H3