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

Systemtic Name: N-[bis(azanyl)methylidene]-1-(8-bromanylquinolin-5-yl)-5-cyclopropyl-pyrazole-4-carboxamide Openeye Name: 1-(8-bromo-5-quinolyl)-5-cyclopropyl-N-(diaminomethylene)pyrazole-4-carboxamide CAS Name: 1-(8-bromo-5-quinolinyl)-5-cyclopropyl-N-(diaminomethylidene)-4-pyrazolecarboxamide IUPAC Name: 1-(8-bromoquinolin-5-yl)-5-cyclopropyl-N-(diaminomethylidene)pyrazole-4-carboxamide Traditional Name: 1-(8-bromo-5-quinolyl)-5-cyclopropyl-N-(diaminomethylene)pyrazole-4-carboxamide Formula: C17H15BrN6O MolecularWeight: 399.2446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6O/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)