N-[3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H20N6O3 MolecularWeight: 416.4326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)N4C=CC=N4

InChI

InChI=1S/C22H20N6O3/c1-14(28-11-5-10-23-28)21(30)25-16-7-4-6-15(12-16)24-20(29)13-19-17-8-2-3-9-18(17)22(31)27-26-19/h2-12,14H,13H2,1H3,(H,24,29)(H,25,30)(H,27,31)