2-butyl-1,3-bis(oxidanylidene)-N-[3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[3-(4-keto-3,1-benzoxazin-2-yl)phenyl]isoindoline-5-carboxamide Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H21N3O5/c1-2-3-13-30-25(32)19-12-11-16(15-21(19)26(30)33)23(31)28-18-8-6-7-17(14-18)24-29-22-10-5-4-9-20(22)27(34)35-24/h4-12,14-15H,2-3,13H2,1H3,(H,28,31)