5-[4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazin-1-yl]-2-(2-furyl)oxazole-4-carbonitrile CAS Name: 5-[4-[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]-2-(2-furanyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazino]-2-(2-furyl)oxazole-4-carbonitrile Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N)Br

InChI

InChI=1S/C22H21BrN4O4/c1-29-18-6-4-15(13-16(18)23)5-7-20(28)26-8-10-27(11-9-26)22-17(14-24)25-21(31-22)19-3-2-12-30-19/h2-4,6,12-13H,5,7-11H2,1H3