4-(1H-benzimidazol-2-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-yl)-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-yl)-1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-yl)-1-[4-(5-bromo-2-pyridyl)piperazino]butan-1-one Formula: C20H22BrN5O MolecularWeight: 428.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22BrN5O/c21-15-8-9-19(22-14-15)25-10-12-26(13-11-25)20(27)7-3-6-18-23-16-4-1-2-5-17(16)24-18/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,23,24)