N-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[1-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN5O2/c1-14(2)18(25-19(28)16-6-4-5-15(3)11-16)20(29)26-7-9-27(10-8-26)21-23-12-17(22)13-24-21/h4-6,11-14,18H,7-10H2,1-3H3,(H,25,28)