6-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]-N-(2-methylquinolin-6-yl)-1H-indole-2-carboxamide

Systemtic Name: 6-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]-N-(2-methylquinolin-6-yl)-1H-indole-2-carboxamide Openeye Name: 6-[(E)-N-guanidino-C-methyl-carbonimidoyl]-N-(2-methyl-6-quinolyl)-1H-indole-2-carboxamide CAS Name: 6-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]-N-(2-methyl-6-quinolinyl)-1H-indole-2-carboxamide IUPAC Name: 6-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(2-methylquinolin-6-yl)-1H-indole-2-carboxamide Traditional Name: 6-[(E)-N-guanidino-C-methyl-carbonimidoyl]-N-(2-methyl-6-quinolyl)-1H-indole-2-carboxamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)C(=NN=C(N)N)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)/C(=N/N=C(N)N)/C

InChI

InChI=1S/C22H21N7O/c1-12-3-4-15-9-17(7-8-18(15)25-12)26-21(30)20-11-16-6-5-14(10-19(16)27-20)13(2)28-29-22(23)24/h3-11,27H,1-2H3,(H,26,30)(H4,23,24,29)/b28-13+