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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H18N6O2/c1-25-20(28)17-5-3-2-4-16(17)18(24-25)19(27)22-10-14-6-8-15(9-7-14)11-26-13-21-12-23-26/h2-9,12-13H,10-11H2,1H3,(H,22,27)