4-[[4-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C30H30N5O2+ MolecularWeight: 492.5915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N5O2/c1-37-28-10-6-5-9-26(28)29-27(22-35(32-29)21-24-7-3-2-4-8-24)30(36)34-17-15-33(16-18-34)20-25-13-11-23(19-31)12-14-25/h2-14,22H,15-18,20-21H2,1H3/p+1