N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide Openeye Name: N-[3-methyl-1-[[3-oxo-1-[2-[3-(2-pyridyl)phenyl]ethyl]azepan-4-yl]carbamoyl]butyl]-5-(2-morpholinoethoxy)benzofuran-2-carboxamide CAS Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-[2-[3-(2-pyridinyl)phenyl]ethyl]-4-azepanyl]amino]pentan-2-yl]-5-[2-(4-morpholinyl)ethoxy]-2-benzofurancarboxamide IUPAC Name: N-[4-methyl-1-oxo-1-[[3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-[2-[3-(2-pyridyl)phenyl]ethyl]azepan-4-yl]carbamoyl]-3-methyl-butyl]-5-(2-morpholinoethoxy)coumarilamide Formula: C40H49N5O6 MolecularWeight: 695.84696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)CCC2=CC=CC(=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)CCC2=CC=CC(=C2)C3=CC=CC=N3)NC(=O)C4=CC5=C(O4)C=CC(=C5)OCCN6CCOCC6

InChI

InChI=1S/C40H49N5O6/c1-28(2)23-35(43-40(48)38-26-31-25-32(11-12-37(31)51-38)50-22-19-44-17-20-49-21-18-44)39(47)42-34-10-6-15-45(27-36(34)46)16-13-29-7-5-8-30(24-29)33-9-3-4-14-41-33/h3-5,7-9,11-12,14,24-26,28,34-35H,6,10,13,15-23,27H2,1-2H3,(H,42,47)(H,43,48)