1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-(4-chloranyl-3-methyl-phenoxy)butan-1-one

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-4-(4-chloranyl-3-methyl-phenoxy)butan-1-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-(4-chloro-3-methyl-phenoxy)butan-1-one CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-4-(4-chloro-3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-4-(4-chloro-3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-4-(4-chloro-3-methyl-phenoxy)butan-1-one Formula: C19H22BrClN4O2 MolecularWeight: 453.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)Cl

InChI

InChI=1S/C19H22BrClN4O2/c1-14-11-16(4-5-17(14)21)27-10-2-3-18(26)24-6-8-25(9-7-24)19-22-12-15(20)13-23-19/h4-5,11-13H,2-3,6-10H2,1H3