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

Systemtic Name: N-[bis(azanyl)methylidene]-5-cyclopropyl-1-isoquinolin-1-yl-pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-(diaminomethylene)-1-(1-isoquinolyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-(diaminomethylidene)-1-(1-isoquinolinyl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-isoquinolin-1-ylpyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-(diaminomethylene)-1-(1-isoquinolyl)pyrazole-4-carboxamide Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC4=CC=CC=C43)C(=O)N=C(N)N

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC4=CC=CC=C43)C(=O)N=C(N)N

InChI

InChI=1S/C17H16N6O/c18-17(19)22-16(24)13-9-21-23(14(13)11-5-6-11)15-12-4-2-1-3-10(12)7-8-20-15/h1-4,7-9,11H,5-6H2,(H4,18,19,22,24)