N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)-2-(3-oxidanylidenebutanoyl)phenyl]-3-oxidanylidene-butanamide

Systemtic Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)-2-(3-oxidanylidenebutanoyl)phenyl]-3-oxidanylidene-butanamide Openeye Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)-2-(3-oxobutanoyl)phenyl]-3-oxo-butanamide CAS Name: N-[3-(9-acridinylamino)-2-(1,3-dioxobutyl)-5-(hydroxymethyl)phenyl]-3-oxobutanamide IUPAC Name: N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)-2-(3-oxobutanoyl)phenyl]-3-oxobutanamide Traditional Name: N-[2-acetoacetyl-3-(acridin-9-ylamino)-5-methylol-phenyl]-3-keto-butyramide Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(C=C(C=C1NC(=O)CC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CC(=O)CC(=O)C1=C(C=C(C=C1NC(=O)CC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C28H25N3O5/c1-16(33)11-25(35)27-23(30-26(36)12-17(2)34)13-18(15-32)14-24(27)31-28-19-7-3-5-9-21(19)29-22-10-6-4-8-20(22)28/h3-10,13-14,32H,11-12,15H2,1-2H3,(H,29,31)(H,30,36)