N-[1-[3-(2-ethoxy-5-oxidanylidene-oxolan-3-yl)-2-oxidanylidene-propyl]-3-methyl-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]-3-methyl-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]-3-methyl-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]-3-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[1-[3-(2-ethoxy-5-oxooxolan-3-yl)-2-oxopropyl]-3-methyl-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-3-methyl-5,6-dihydro-2H-azepin-6-yl]isoquinoline-1-carboxamide Formula: C26H29N3O6 MolecularWeight: 479.52496

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O6/c1-3-34-26-18(13-22(31)35-26)12-19(30)15-29-14-16(2)8-9-21(25(29)33)28-24(32)23-20-7-5-4-6-17(20)10-11-27-23/h4-8,10-11,18,21,26H,3,9,12-15H2,1-2H3,(H,28,32)