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

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-(3-chloranyl-4-methyl-phenyl)propan-1-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-(3-chloro-4-methyl-phenyl)propan-1-one CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-(3-chloro-4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-(3-chloro-4-methylphenyl)propan-1-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-3-(3-chloro-4-methyl-phenyl)propan-1-one Formula: C18H20BrClN4O MolecularWeight: 423.7346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN4O/c1-13-2-3-14(10-16(13)20)4-5-17(25)23-6-8-24(9-7-23)18-21-11-15(19)12-22-18/h2-3,10-12H,4-9H2,1H3