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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-[4-(3-chlorophenyl)piperazino]oxazole-4-carbonitrile Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN4O2/c22-15-4-6-18(7-5-15)28-14-20-25-19(13-24)21(29-20)27-10-8-26(9-11-27)17-3-1-2-16(23)12-17/h1-7,12H,8-11,14H2