2-[(3E)-3-[azanyl-(propan-2-ylamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N'-propan-2-yl-1-benzofuran-6-carboximidamide

Systemtic Name: 2-[(3E)-3-[azanyl-(propan-2-ylamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N'-propan-2-yl-1-benzofuran-6-carboximidamide Openeye Name: 2-[(3E)-3-[amino-(isopropylamino)methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]-N'-isopropyl-benzofuran-6-carboxamidine CAS Name: 2-[(3E)-3-[amino-(propan-2-ylamino)methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]-N'-propan-2-yl-6-benzofurancarboximidamide IUPAC Name: 2-[(3E)-3-[amino-(propan-2-ylamino)methylidene]-6-oxocyclohexa-1,4-dien-1-yl]-N'-propan-2-yl-1-benzofuran-6-carboximidamide Traditional Name: 2-[(3E)-3-[amino-(isopropylamino)methylene]-6-keto-cyclohexa-1,4-dien-1-yl]-N'-isopropyl-benzofuran-6-carboxamidine Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=C1C=CC(=O)C(=C1)C2=CC3=C(O2)C=C(C=C3)C(=NC(C)C)N)N

Isomeric SMILES

CC(C)N/C(=C/1\C=CC(=O)C(=C1)C2=CC3=C(O2)C=C(C=C3)C(=NC(C)C)N)/N

InChI

InChI=1S/C22H26N4O2/c1-12(2)25-21(23)15-7-8-18(27)17(9-15)20-10-14-5-6-16(11-19(14)28-20)22(24)26-13(3)4/h5-13,25H,23H2,1-4H3,(H2,24,26)/b21-15+