copper N-[(2-oxidanylideneindol-3-yl)amino]-N'-phenyl-benzenecarboximidamide dichloride hydrate

Systemtic Name: copper N-[(2-oxidanylideneindol-3-yl)amino]-N'-phenyl-benzenecarboximidamide dichloride hydrate Openeye Name: copper N-[(2-oxoindol-3-yl)amino]-N'-phenyl-benzamidine dichloride hydrate CAS Name: copper N-[(2-oxo-3-indolyl)amino]-N'-phenylbenzenecarboximidamide dichloride hydrate IUPAC Name: copper N-[(2-oxoindol-3-yl)amino]-N'-phenylbenzenecarboximidamide dichloride hydrate Traditional Name: cupric N-[(2-ketoindol-3-yl)amino]-N'-phenyl-benzamidine dichloride hydrate Formula: C21H18Cl2CuN4O2 MolecularWeight: 492.84522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NC2=CC=CC=C2)NNC3=C4C=CC=CC4=NC3=O.O.[Cl-].[Cl-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=NC2=CC=CC=C2)NNC3=C4C=CC=CC4=NC3=O.O.[Cl-].[Cl-].[Cu+2]

InChI

InChI=1S/C21H16N4O.2ClH.Cu.H2O/c26-21-19(17-13-7-8-14-18(17)23-21)24-25-20(15-9-3-1-4-10-15)22-16-11-5-2-6-12-16;;;;/h1-14H,(H,22,25)(H,23,24,26);2*1H;;1H2/q;;;+2;/p-2