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

Systemtic Name: N-[[2-[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: N-[[2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-oxo-1H-quinazoline-4-carboxamide CAS Name: N-[[2-(2-amino-3,4-dioxo-1-cyclobutenyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[[2-(2-amino-3,4-diketo-cyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-2-keto-1H-quinazoline-4-carboxamide Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=NC(=O)NC4=CC=CC=C43)C5=C(C(=O)C5=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)CNC(=O)C3=NC(=O)NC4=CC=CC=C43)C5=C(C(=O)C5=O)N

InChI

InChI=1S/C23H19N5O4/c24-17-19(21(30)20(17)29)28-8-7-13-6-5-12(9-14(13)11-28)10-25-22(31)18-15-3-1-2-4-16(15)26-23(32)27-18/h1-6,9H,7-8,10-11,24H2,(H,25,31)(H,26,27,32)