6-[4-[[1-(dimethylazaniumyl)cycloheptyl]methylcarbamoyl]-5-ethyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[[1-(dimethylazaniumyl)cycloheptyl]methylcarbamoyl]-5-ethyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[[1-(dimethylammonio)cycloheptyl]methylcarbamoyl]-5-ethyl-pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[[1-(dimethylammonio)cycloheptyl]methylamino]-oxomethyl]-5-ethyl-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[[1-(dimethylazaniumyl)cycloheptyl]methylcarbamoyl]-5-ethylpyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[[1-(dimethylammonio)cycloheptyl]methylcarbamoyl]-5-ethyl-pyrazol-1-yl]pyridazin-3-olate Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C20H30N6O2/c1-4-16-15(13-22-26(16)17-9-10-18(27)24-23-17)19(28)21-14-20(25(2)3)11-7-5-6-8-12-20/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,21,28)(H,24,27)