4-[(E)-[(3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxidanylidene-cyclononylidene]methyl]benzenecarboximidamide

Systemtic Name: 4-[(E)-[(3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxidanylidene-cyclononylidene]methyl]benzenecarboximidamide Openeye Name: 4-[(E)-[(3Z)-3-[(4-carbamimidoylphenyl)methylene]-2-oxo-cyclononylidene]methyl]benzamidine CAS Name: 4-[(E)-[(3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocyclononylidene]methyl]benzenecarboximidamide IUPAC Name: 4-[(E)-[(3Z)-3-[(4-carbamimidoylphenyl)methylidene]-2-oxocyclononylidene]methyl]benzenecarboximidamide Traditional Name: 4-[(E)-[(3Z)-3-(4-amidinobenzylidene)-2-keto-cyclononylidene]methyl]benzamidine Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=CC2=CC=C(C=C2)C(=N)N)C(=O)C(=CC3=CC=C(C=C3)C(=N)N)CC1

Isomeric SMILES

C1CCC/C(=C/C2=CC=C(C=C2)C(=N)N)/C(=O)/C(=C/C3=CC=C(C=C3)C(=N)N)/CC1

InChI

InChI=1S/C25H28N4O/c26-24(27)19-11-7-17(8-12-19)15-21-5-3-1-2-4-6-22(23(21)30)16-18-9-13-20(14-10-18)25(28)29/h7-16H,1-6H2,(H3,26,27)(H3,28,29)/b21-15-,22-16+