N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxidanylidene-pentanamide

Systemtic Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxidanylidene-pentanamide Openeye Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxo-pentanamide CAS Name: N-[3-(9-acridinylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxopentanamide IUPAC Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxopentanamide Traditional Name: N-[3-(acridin-9-ylamino)-5-methylol-phenyl]-2-ethyl-4-keto-valeramide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C)C(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

Isomeric SMILES

CCC(CC(=O)C)C(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO

InChI

InChI=1S/C27H27N3O3/c1-3-19(12-17(2)32)27(33)29-21-14-18(16-31)13-20(15-21)28-26-22-8-4-6-10-24(22)30-25-11-7-5-9-23(25)26/h4-11,13-15,19,31H,3,12,16H2,1-2H3,(H,28,30)(H,29,33)