2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-methyl-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-methyl-N-pyridin-4-yl-ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-methyl-N-(4-pyridyl)acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-methyl-N-pyridin-4-ylacetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-methyl-N-pyridin-4-ylacetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-methyl-N-(4-pyridyl)acetamide Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N(C)C4=CC=NC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N(C)C4=CC=NC=C4)NC#N

InChI

InChI=1S/C25H27N7O3/c1-17-13-18-14-19(6-7-22(18)35-17)29-25(28-16-26)30-21-5-3-4-12-32(24(21)34)15-23(33)31(2)20-8-10-27-11-9-20/h6-11,13-14,21H,3-5,12,15H2,1-2H3,(H2,28,29,30)