3-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2/c1-24-20(27)17-10-6-5-9-16(17)18(23-24)19(26)21-11-14-12-22-25(13-14)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,21,26)