4-[[4-[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[6-keto-1-(2-phenoxyethyl)pyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H26N5O3+ MolecularWeight: 444.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3/c26-18-20-6-8-21(9-7-20)19-28-12-14-29(15-13-28)25(32)23-10-11-24(31)30(27-23)16-17-33-22-4-2-1-3-5-22/h1-11H,12-17,19H2/p+1