N-[4-tert-butyl-3-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[4-tert-butyl-3-(hydroxymethyl)phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[4-tert-butyl-3-(hydroxymethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[4-tert-butyl-3-(hydroxymethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[4-tert-butyl-3-(hydroxymethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-tert-butyl-3-methylol-phenyl)-4-keto-1H-quinoline-3-carboxamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=CNC3=CC=CC=C3C2=O)CO

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=CNC3=CC=CC=C3C2=O)CO

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)17-9-8-14(10-13(17)12-24)23-20(26)16-11-22-18-7-5-4-6-15(18)19(16)25/h4-11,24H,12H2,1-3H3,(H,22,25)(H,23,26)