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

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-[3-(2-ketopyrrolidino)propyl]acetamide Formula: C26H33N7O4 MolecularWeight: 507.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCCCN4CCCC4=O)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCCCN4CCCC4=O)NC#N

InChI

InChI=1S/C26H33N7O4/c1-18-14-19-15-20(8-9-22(19)37-18)30-26(29-17-27)31-21-6-2-3-11-33(25(21)36)16-23(34)28-10-5-13-32-12-4-7-24(32)35/h8-9,14-15,21H,2-7,10-13,16H2,1H3,(H,28,34)(H2,29,30,31)