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

Systemtic Name: 4-oxidanylidene-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]-3H-phthalazine-1-carboxamide Formula: C19H16N6O2 MolecularWeight: 360.36934

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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=NC=N4

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O2/c26-18-16-8-4-3-7-15(16)17(23-24-18)19(27)21-9-13-5-1-2-6-14(13)10-25-12-20-11-22-25/h1-8,11-12H,9-10H2,(H,21,27)(H,24,26)