[5-bromanyl-2-[3-(piperazin-2-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone

Systemtic Name: [5-bromanyl-2-[3-(piperazin-2-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-(piperazin-2-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-(2-piperazinylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-(piperazin-2-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-(piperazin-2-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C19H19BrN6O MolecularWeight: 427.29776

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CNC(CN1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C19H19BrN6O/c20-13-4-5-17(15(9-13)19(27)16-3-1-2-6-23-16)26-12-24-25-18(26)10-14-11-21-7-8-22-14/h1-6,9,12,14,21-22H,7-8,10-11H2