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

Systemtic Name: 5-acetamido-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-acetamido-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-acetamido-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-acetamido-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: 5-acetamido-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14(26)22-12-5-4-11-19(27)23-16-8-6-7-15(13-16)20-17-9-2-3-10-18(17)21(28)25-24-20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,22,26)(H,23,27)(H,25,28)