6-bromanyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-[[4-(4-pyridylmethyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CN3C4=C(C=C(C=C4)Br)OC3=O

InChI

InChI=1S/C18H19BrN4O2/c19-15-1-2-16-17(11-15)25-18(24)23(16)13-22-9-7-21(8-10-22)12-14-3-5-20-6-4-14/h1-6,11H,7-10,12-13H2