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

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-6-keto-1H-pyridine-3-carboxamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=CNC(=O)C=C3)C4=C(C(=O)C4=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=CNC(=O)C=C3)C4=C(C(=O)C4=O)N

InChI

InChI=1S/C20H18N4O4/c21-16-17(19(27)18(16)26)24-6-5-12-2-1-11(7-14(12)10-24)8-23-20(28)13-3-4-15(25)22-9-13/h1-4,7,9H,5-6,8,10,21H2,(H,22,25)(H,23,28)