N-[bis(azanyl)methylidene]-1-(8-bromanylquinolin-5-yl)-5-cyclopropyl-pyrazole-4-carboxamide hydrate hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-1-(8-bromanylquinolin-5-yl)-5-cyclopropyl-pyrazole-4-carboxamide hydrate hydrochloride Openeye Name: 1-(8-bromo-5-quinolyl)-5-cyclopropyl-N-(diaminomethylene)pyrazole-4-carboxamide hydrate hydrochloride CAS Name: 1-(8-bromo-5-quinolinyl)-5-cyclopropyl-N-(diaminomethylidene)-4-pyrazolecarboxamide hydrate hydrochloride IUPAC Name: 1-(8-bromoquinolin-5-yl)-5-cyclopropyl-N-(diaminomethylidene)pyrazole-4-carboxamide hydrate hydrochloride Traditional Name: 1-(8-bromo-5-quinolyl)-5-cyclopropyl-N-(diaminomethylene)pyrazole-4-carboxamide hydrate hydrochloride Formula: C17H18BrClN6O2 MolecularWeight: 453.72082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=C4C=CC=NC4=C(C=C3)Br)C(=O)N=C(N)N.O.Cl

Isomeric SMILES

C1CC1C2=C(C=NN2C3=C4C=CC=NC4=C(C=C3)Br)C(=O)N=C(N)N.O.Cl

InChI

InChI=1S/C17H15BrN6O.ClH.H2O/c18-12-5-6-13(10-2-1-7-21-14(10)12)24-15(9-3-4-9)11(8-22-24)16(25)23-17(19)20;;/h1-2,5-9H,3-4H2,(H4,19,20,23,25);1H;1H2