1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-[[2-(1-pyrazolylmethyl)phenyl]methyl]urea IUPAC Name: 1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-[2-(pyrazol-1-ylmethyl)benzyl]urea Formula: C21H19N7O3 MolecularWeight: 417.42066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)CN4C=CC=N4

InChI

InChI=1S/C21H19N7O3/c29-19-17-9-4-3-8-16(17)18(24-25-19)20(30)26-27-21(31)22-12-14-6-1-2-7-15(14)13-28-11-5-10-23-28/h1-11H,12-13H2,(H,25,29)(H,26,30)(H2,22,27,31)