[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: (3-benzyloxyphenyl)-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: (3-benzoxyphenyl)-[4-(5-bromopyrimidin-2-yl)piperazino]methanone Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O2/c23-19-14-24-22(25-15-19)27-11-9-26(10-12-27)21(28)18-7-4-8-20(13-18)29-16-17-5-2-1-3-6-17/h1-8,13-15H,9-12,16H2