4-oxidanylidene-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(pyrazol-1-ylmethyl)benzyl]-3H-phthalazine-1-carboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2/c26-19-17-9-4-3-8-16(17)18(23-24-19)20(27)21-12-14-6-1-2-7-15(14)13-25-11-5-10-22-25/h1-11H,12-13H2,(H,21,27)(H,24,26)