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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1-naphthyl)oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(1-naphthalenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1-naphthyl)oxazole-4-carbonitrile Formula: C31H27N4O+ MolecularWeight: 471.57228

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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=CC6=CC=CC=C65)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(O4)C5=CC=CC6=CC=CC=C65)C#N

InChI

InChI=1S/C31H26N4O/c32-22-28-31(36-30(33-28)27-17-9-15-23-10-7-8-16-26(23)27)35-20-18-34(19-21-35)29(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-17,29H,18-21H2/p+1