N-[1-[3-(2-ethoxy-5-oxidanylidene-oxolan-3-yl)-2-oxidanylidene-propyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[1-[3-(2-ethoxy-5-oxidanylidene-oxolan-3-yl)-2-oxidanylidene-propyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide Openeye Name: N-[1-[3-(2-ethoxy-5-oxo-tetrahydrofuran-3-yl)-2-oxo-propyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide CAS Name: N-[1-[3-(2-ethoxy-5-oxo-3-oxolanyl)-2-oxopropyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[1-[3-(2-ethoxy-5-oxooxolan-3-yl)-2-oxopropyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide Traditional Name: N-[1-[3-(2-ethoxy-5-keto-tetrahydrofuran-3-yl)-2-keto-propyl]-7-keto-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CC(=O)O1)CC(=O)CN2CC=CCC(C2=O)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1C(CC(=O)O1)CC(=O)CN2CC=CCC(C2=O)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O6/c1-2-33-25-17(14-21(30)34-25)13-18(29)15-28-12-6-5-9-20(24(28)32)27-23(31)22-19-8-4-3-7-16(19)10-11-26-22/h3-8,10-11,17,20,25H,2,9,12-15H2,1H3,(H,27,31)