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

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-bromopyrimidin-2-yl)piperazino]methanone Formula: C22H20BrN7O MolecularWeight: 478.3445

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H20BrN7O/c23-18-13-24-22(25-14-18)29-11-9-28(10-12-29)21(31)17-7-5-16(6-8-17)15-30-20-4-2-1-3-19(20)26-27-30/h1-8,13-14H,9-12,15H2