[5-bromanyl-2-[5-(chloromethyl)-3-piperidin-1-ylcarbonyl-1,2,4-triazol-1-yl]phenyl]-pyridin-2-yl-methanone

Systemtic Name: [5-bromanyl-2-[5-(chloromethyl)-3-piperidin-1-ylcarbonyl-1,2,4-triazol-1-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[5-(chloromethyl)-3-(piperidine-1-carbonyl)-1,2,4-triazol-1-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[5-(chloromethyl)-3-[oxo(1-piperidinyl)methyl]-1,2,4-triazol-1-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[5-(chloromethyl)-3-(piperidine-1-carbonyl)-1,2,4-triazol-1-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[5-(chloromethyl)-3-(piperidine-1-carbonyl)-1,2,4-triazol-1-yl]phenyl]-(2-pyridyl)methanone Formula: C21H19BrClN5O2 MolecularWeight: 488.76486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=NN(C(=N2)CCl)C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=NN(C(=N2)CCl)C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H19BrClN5O2/c22-14-7-8-17(15(12-14)19(29)16-6-2-3-9-24-16)28-18(13-23)25-20(26-28)21(30)27-10-4-1-5-11-27/h2-3,6-9,12H,1,4-5,10-11,13H2