2-[3-[[(isocyanoamino)-pyrrolidin-1-yl-methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-(2-methyl-1-benzofuran-5-yl)ethanamide

Systemtic Name: 2-[3-[[(isocyanoamino)-pyrrolidin-1-yl-methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-(2-methyl-1-benzofuran-5-yl)ethanamide Openeye Name: 2-[3-[[(isocyanoamino)-pyrrolidin-1-yl-methylene]amino]-2-oxo-azepan-1-yl]-N-(2-methylbenzofuran-5-yl)acetamide CAS Name: 2-[3-[[(isocyanoamino)-(1-pyrrolidinyl)methylidene]amino]-2-oxo-1-azepanyl]-N-(2-methyl-5-benzofuranyl)acetamide IUPAC Name: 2-[3-[[(isocyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-oxoazepan-1-yl]-N-(2-methyl-1-benzofuran-5-yl)acetamide Traditional Name: 2-[3-[[(isocyanoamino)-pyrrolidino-methylene]amino]-2-keto-azepan-1-yl]-N-(2-methylbenzofuran-5-yl)acetamide Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=O)CN3CCCCC(C3=O)N=C(N[N+]#[C-])N4CCCC4

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=O)CN3CCCCC(C3=O)N=C(N[N+]#[C-])N4CCCC4

InChI

InChI=1S/C23H28N6O3/c1-16-13-17-14-18(8-9-20(17)32-16)25-21(30)15-29-12-4-3-7-19(22(29)31)26-23(27-24-2)28-10-5-6-11-28/h8-9,13-14,19H,3-7,10-12,15H2,1H3,(H,25,30)(H,26,27)