2-[(3-bromanylphenoxy)methyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(3-bromanylphenoxy)methyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(3-bromophenoxy)methyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-[(3-bromophenoxy)methyl]-5-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-[(3-bromophenoxy)methyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(3-bromophenoxy)methyl]-5-[4-(4-fluorophenyl)piperazino]oxazole-4-carbonitrile Formula: C21H18BrFN4O2 MolecularWeight: 457.295623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(N=C(O3)COC4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(N=C(O3)COC4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C21H18BrFN4O2/c22-15-2-1-3-18(12-15)28-14-20-25-19(13-24)21(29-20)27-10-8-26(9-11-27)17-6-4-16(23)5-7-17/h1-7,12H,8-11,14H2