5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-furyl)oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-furanyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-furyl)oxazole-4-carbonitrile Formula: C25H23N4O2+ MolecularWeight: 411.47572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)C5=CC=CO5)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)C5=CC=CO5)C#N

InChI

InChI=1S/C25H22N4O2/c26-18-21-25(31-24(27-21)22-12-7-17-30-22)29-15-13-28(14-16-29)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16H2/p+1