actinium; [4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]azanide

Systemtic Name: actinium; [4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]azanide Openeye Name: actinium; [4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]oxy]phenyl]azanide CAS Name: actinium; [4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolinyl]oxy]phenyl]azanide IUPAC Name: actinium; [4-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxyphenyl]azanide Traditional Name: actinium; [4-[[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-isoquinolyl]oxy]phenyl]azanide Formula: C21H18AcN5O- MolecularWeight: 583.428267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=CC4=CC=CC=C43)OC5=CC=C(C=C5)[NH-].[Ac]

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=CC4=CC=CC=C43)OC5=CC=C(C=C5)[NH-].[Ac]

InChI

InChI=1S/C21H18N5O.Ac/c22-15-7-9-16(10-8-15)27-20-11-14-3-1-2-4-17(14)21(24-20)23-19-12-18(25-26-19)13-5-6-13;/h1-4,7-13,22H,5-6H2,(H2,23,24,25,26);/q-1;