5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-benzyloxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-2-(4-phenylmethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)oxazole-4-carbonitrile Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H24N4O2/c1-2-26-12-14-27(15-13-26)23-21(16-24)25-22(29-23)19-8-10-20(11-9-19)28-17-18-6-4-3-5-7-18/h3-11H,2,12-15,17H2,1H3/p+1