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

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-hexyl-acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-hexylacetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-hexylacetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-hexyl-acetamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CN1CCCCC(C1=O)N=C(NC#N)NC2=CC3=C(C=C2)OC(=C3)C

Isomeric SMILES

CCCCCCNC(=O)CN1CCCCC(C1=O)N=C(NC#N)NC2=CC3=C(C=C2)OC(=C3)C

InChI

InChI=1S/C25H34N6O3/c1-3-4-5-7-12-27-23(32)16-31-13-8-6-9-21(24(31)33)30-25(28-17-26)29-20-10-11-22-19(15-20)14-18(2)34-22/h10-11,14-15,21H,3-9,12-13,16H2,1-2H3,(H,27,32)(H2,28,29,30)