1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-4-(4-chloro-2-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-4-(4-chloro-2-methylphenoxy)butan-1-one Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-4-(4-chloro-2-methyl-phenoxy)butan-1-one Formula: C20H23BrClN3O2 MolecularWeight: 452.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C20H23BrClN3O2/c1-15-13-17(22)5-6-18(15)27-12-2-3-20(26)25-10-8-24(9-11-25)19-7-4-16(21)14-23-19/h4-7,13-14H,2-3,8-12H2,1H3