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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenyl-oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-phenyl-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-phenyl-oxazole-4-carbonitrile Formula: C27H25N4O+ MolecularWeight: 421.5136

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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=CC=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O/c28-20-24-27(32-26(29-24)23-14-8-3-9-15-23)31-18-16-30(17-19-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-19H2/p+1