[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(5-methyl-2-phenyl-triazol-4-yl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(5-methyl-2-phenyl-4-triazolyl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(5-methyl-2-phenyl-triazol-4-yl)methanone Formula: C18H18BrN7O MolecularWeight: 428.28582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)C4=CC=CC=C4

InChI

InChI=1S/C18H18BrN7O/c1-13-16(23-26(22-13)15-5-3-2-4-6-15)17(27)24-7-9-25(10-8-24)18-20-11-14(19)12-21-18/h2-6,11-12H,7-10H2,1H3