N-[bis(azanyl)methylidene]-5-butyl-1-quinolin-5-yl-pyrazole-4-carboxamide dihydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-5-butyl-1-quinolin-5-yl-pyrazole-4-carboxamide dihydrochloride Openeye Name: 5-butyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide dihydrochloride CAS Name: 5-butyl-N-(diaminomethylidene)-1-(5-quinolinyl)-4-pyrazolecarboxamide dihydrochloride IUPAC Name: 5-butyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide dihydrochloride Traditional Name: 5-butyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide dihydrochloride Formula: C18H22Cl2N6O MolecularWeight: 409.31288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NN1C2=CC=CC3=C2C=CC=N3)C(=O)N=C(N)N.Cl.Cl

Isomeric SMILES

CCCCC1=C(C=NN1C2=CC=CC3=C2C=CC=N3)C(=O)N=C(N)N.Cl.Cl

InChI

InChI=1S/C18H20N6O.2ClH/c1-2-3-8-16-13(17(25)23-18(19)20)11-22-24(16)15-9-4-7-14-12(15)6-5-10-21-14;;/h4-7,9-11H,2-3,8H2,1H3,(H4,19,20,23,25);2*1H