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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C27H24N5O3+ MolecularWeight: 466.51116

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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[N+](=O)[O-])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[N+](=O)[O-])C#N

InChI

InChI=1S/C27H23N5O3/c28-19-23-27(35-26(29-23)22-13-7-8-14-24(22)32(33)34)31-17-15-30(16-18-31)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-18H2/p+1