5-(butylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide

Systemtic Name: 5-(butylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-(butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-(butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-(butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: 5-(butylamino)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCNCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C23H28N4O2/c1-2-3-14-24-15-7-6-13-21(28)25-18-10-8-9-17(16-18)22-19-11-4-5-12-20(19)23(29)27-26-22/h4-5,8-12,16,24H,2-3,6-7,13-15H2,1H3,(H,25,28)(H,27,29)