2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C20H24BrN3O3 MolecularWeight: 434.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=CC=N3)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCCN(CC2)CC3=CC=CC=N3)Br)O

InChI

InChI=1S/C20H24BrN3O3/c1-27-19-11-15(17(21)13-18(19)25)12-20(26)24-8-4-7-23(9-10-24)14-16-5-2-3-6-22-16/h2-3,5-6,11,13,25H,4,7-10,12,14H2,1H3