4-[[(5-tert-butyl-2-oxidanyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-tert-butyl-2-oxidanyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(5-tert-butyl-2-hydroxy-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(5-tert-butyl-2-hydroxyanilino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(5-tert-butyl-2-hydroxyanilino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(5-tert-butyl-2-hydroxy-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C25H23N3O3/c1-25(2,3)16-11-12-21(29)20(14-16)27-15-19-17-8-4-5-9-18(17)23(30)28(24(19)31)22-10-6-7-13-26-22/h4-15,27,29H,1-3H3