2-[6-[(2-isoquinolin-1-yl-2-oxidanylidene-ethanoyl)amino]-7-oxidanylidene-cyclohept-3-en-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide

Systemtic Name: 2-[6-[(2-isoquinolin-1-yl-2-oxidanylidene-ethanoyl)amino]-7-oxidanylidene-cyclohept-3-en-1-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide Openeye Name: N-(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-[6-[[2-(1-isoquinolyl)-2-oxo-acetyl]amino]-7-oxo-cyclohept-3-en-1-yl]propanamide CAS Name: N-(2-hydroxy-5-oxo-3-oxolanyl)-2-[6-[[2-(1-isoquinolinyl)-1,2-dioxoethyl]amino]-7-oxo-1-cyclohept-3-enyl]propanamide IUPAC Name: N-(2-hydroxy-5-oxooxolan-3-yl)-2-[6-[(2-isoquinolin-1-yl-2-oxoacetyl)amino]-7-oxocyclohept-3-en-1-yl]propanamide Traditional Name: N-(2-hydroxy-5-keto-tetrahydrofuran-3-yl)-2-[6-[[2-(1-isoquinolyl)-2-keto-acetyl]amino]-7-keto-cyclohept-3-en-1-yl]propionamide Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC=CCC(C1=O)NC(=O)C(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

Isomeric SMILES

CC(C1CC=CCC(C1=O)NC(=O)C(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

InChI

InChI=1S/C25H25N3O7/c1-13(23(32)28-18-12-19(29)35-25(18)34)15-7-4-5-9-17(21(15)30)27-24(33)22(31)20-16-8-3-2-6-14(16)10-11-26-20/h2-6,8,10-11,13,15,17-18,25,34H,7,9,12H2,1H3,(H,27,33)(H,28,32)