N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-benzamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-4-methylbenzamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-4-methyl-benzamide Formula: C18H20BrN5O2 MolecularWeight: 418.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN5O2/c1-13-2-4-14(5-3-13)17(26)20-12-16(25)23-6-8-24(9-7-23)18-21-10-15(19)11-22-18/h2-5,10-11H,6-9,12H2,1H3,(H,20,26)