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

Systemtic Name: [5-bromanyl-2-[3-(piperidin-1-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-(1-piperidylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-(1-piperidinylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-(piperidin-1-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-(piperidinomethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C20H20BrN5O MolecularWeight: 426.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)CC2=NN=CN2C3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C20H20BrN5O/c21-15-7-8-18(16(12-15)20(27)17-6-2-3-9-22-17)26-14-23-24-19(26)13-25-10-4-1-5-11-25/h2-3,6-9,12,14H,1,4-5,10-11,13H2