[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromo-2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromopyridin-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromo-2-pyridyl)piperazino]methanone Formula: C23H21BrN6O MolecularWeight: 477.35644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H21BrN6O/c24-19-9-10-22(25-15-19)28-11-13-29(14-12-28)23(31)18-7-5-17(6-8-18)16-30-21-4-2-1-3-20(21)26-27-30/h1-10,15H,11-14,16H2