N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-(3-keto-4H-1,4-benzoxazin-6-yl)acetamide Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3=CC4=C(C=C3)OCC(=O)N4)C5=C(C(=O)C5=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3=CC4=C(C=C3)OCC(=O)N4)C5=C(C(=O)C5=O)N

InChI

InChI=1S/C24H22N4O5/c25-21-22(24(32)23(21)31)28-6-5-15-3-1-14(7-16(15)11-28)10-26-19(29)9-13-2-4-18-17(8-13)27-20(30)12-33-18/h1-4,7-8H,5-6,9-12,25H2,(H,26,29)(H,27,30)