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-2-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-2-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-2-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-2-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-2-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-2-yl)acetamide Formula: C24H22N4O5 MolecularWeight: 446.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3C(=O)NC4=CC=CC=C4O3)C5=C(C(=O)C5=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)CC3C(=O)NC4=CC=CC=C4O3)C5=C(C(=O)C5=O)N

InChI

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