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

Systemtic Name: [5-bromanyl-2-[3-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-yl-methanone Openeye Name: [5-bromo-2-[3-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone CAS Name: [5-bromo-2-[3-ethyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridinyl)methanone IUPAC Name: [5-bromo-2-[3-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone Traditional Name: [5-bromo-2-[3-ethyl-5-(pyrrolidinomethyl)-1,2,4-triazol-4-yl]phenyl]-(2-pyridyl)methanone Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCCC4

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3)CN4CCCC4

InChI

InChI=1S/C21H22BrN5O/c1-2-19-24-25-20(14-26-11-5-6-12-26)27(19)18-9-8-15(22)13-16(18)21(28)17-7-3-4-10-23-17/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3