N-tert-butyl-1-[3-(4-ethanoylphenyl)phenyl]-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: N-tert-butyl-1-[3-(4-ethanoylphenyl)phenyl]-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: 1-[3-(4-acetylphenyl)phenyl]-N-tert-butyl-4-oxo-cinnoline-3-carboxamide CAS Name: 1-[3-(4-acetylphenyl)phenyl]-N-tert-butyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: 1-[3-(4-acetylphenyl)phenyl]-N-tert-butyl-4-oxocinnoline-3-carboxamide Traditional Name: 1-[3-(4-acetylphenyl)phenyl]-N-tert-butyl-4-keto-cinnoline-3-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C(=O)C(=N3)C(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C(=O)C(=N3)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H25N3O3/c1-17(31)18-12-14-19(15-13-18)20-8-7-9-21(16-20)30-23-11-6-5-10-22(23)25(32)24(29-30)26(33)28-27(2,3)4/h5-16H,1-4H3,(H,28,33)