N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-1-[[1-(1-oxidopyridin-1-ium-2-carbonyl)-3-oxo-azepan-4-yl]carbamoyl]propyl]benzofuran-2-carboxamide CAS Name: N-[3-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]-3-oxo-4-azepanyl]amino]-1-oxobutan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-carbonyl)-3-oxoazepan-4-yl]amino]-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-carbonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]coumarilamide Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)C(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)C(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H28N4O6/c1-16(2)23(28-24(32)22-14-17-8-3-4-11-21(17)36-22)25(33)27-18-9-7-12-29(15-20(18)31)26(34)19-10-5-6-13-30(19)35/h3-6,8,10-11,13-14,16,18,23H,7,9,12,15H2,1-2H3,(H,27,33)(H,28,32)