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

Systemtic Name: 5-[4-[3-(3-bromanyl-4-methoxy-phenyl)propanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[3-(3-bromo-4-methoxy-phenyl)propanoyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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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)C4CC4)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N)Br

InChI

InChI=1S/C21H23BrN4O3/c1-28-18-6-2-14(12-16(18)22)3-7-19(27)25-8-10-26(11-9-25)21-17(13-23)24-20(29-21)15-4-5-15/h2,6,12,15H,3-5,7-11H2,1H3