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

Systemtic Name: 2-[(4-bromanylphenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(4-bromophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[(4-bromophenoxy)methyl]-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[(4-bromophenoxy)methyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(4-bromophenoxy)methyl]-5-(4-phenylpiperazino)oxazole-4-carbonitrile Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2/c22-16-6-8-18(9-7-16)27-15-20-24-19(14-23)21(28-20)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9H,10-13,15H2