N-[bis(azanyl)methylidene]-5-ethyl-1-(1H-indazol-6-yl)pyrazole-4-carboxamide hydrate hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-5-ethyl-1-(1H-indazol-6-yl)pyrazole-4-carboxamide hydrate hydrochloride Openeye Name: N-(diaminomethylene)-5-ethyl-1-(1H-indazol-6-yl)pyrazole-4-carboxamide hydrate hydrochloride CAS Name: N-(diaminomethylidene)-5-ethyl-1-(1H-indazol-6-yl)-4-pyrazolecarboxamide hydrate hydrochloride IUPAC Name: N-(diaminomethylidene)-5-ethyl-1-(1H-indazol-6-yl)pyrazole-4-carboxamide hydrate hydrochloride Traditional Name: N-(diaminomethylene)-5-ethyl-1-(1H-indazol-6-yl)pyrazole-4-carboxamide hydrate hydrochloride Formula: C14H18ClN7O2 MolecularWeight: 351.79142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC3=C(C=C2)C=NN3)C(=O)N=C(N)N.O.Cl

Isomeric SMILES

CCC1=C(C=NN1C2=CC3=C(C=C2)C=NN3)C(=O)N=C(N)N.O.Cl

InChI

InChI=1S/C14H15N7O.ClH.H2O/c1-2-12-10(13(22)19-14(15)16)7-18-21(12)9-4-3-8-6-17-20-11(8)5-9;;/h3-7H,2H2,1H3,(H,17,20)(H4,15,16,19,22);1H;1H2