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

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-(2-ketopyrrolidino)benzamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(CCN(C4)C5=C(C(=O)C5=O)N)C=C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(CCN(C4)C5=C(C(=O)C5=O)N)C=C3

InChI

InChI=1S/C25H24N4O4/c26-21-22(24(32)23(21)31)28-10-8-16-7-6-15(11-18(16)14-28)13-27-25(33)17-3-1-4-19(12-17)29-9-2-5-20(29)30/h1,3-4,6-7,11-12H,2,5,8-10,13-14,26H2,(H,27,33)