2-[(3E)-3-[azanyl-(propan-2-ylamino)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-N'-propan-2-yl-1-benzofuran-5-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-5-carboximidamide Openeye Name: 2-[(3E)-3-[amino-(isopropylamino)methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]-N'-isopropyl-benzofuran-5-carboxamidine CAS Name: 2-[(3E)-3-[amino-(propan-2-ylamino)methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]-N'-propan-2-yl-5-benzofurancarboximidamide IUPAC Name: 2-[(3E)-3-[amino-(propan-2-ylamino)methylidene]-6-oxocyclohexa-1,4-dien-1-yl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide Traditional Name: 2-[(3E)-3-[amino-(isopropylamino)methylene]-6-keto-cyclohexa-1,4-dien-1-yl]-N'-isopropyl-benzofuran-5-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=CC(=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=CC(=C3)C(=NC(C)C)N)/N

InChI

InChI=1S/C22H26N4O2/c1-12(2)25-21(23)14-6-8-19-16(9-14)11-20(28-19)17-10-15(5-7-18(17)27)22(24)26-13(3)4/h5-13,26H,24H2,1-4H3,(H2,23,25)/b22-15+