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

Systemtic Name: 4-oxidanylidene-3-propyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

InChI

InChI=1S/C22H22N6O2/c1-2-11-28-22(30)19-10-6-5-9-18(19)20(26-28)21(29)24-12-16-7-3-4-8-17(16)13-27-15-23-14-25-27/h3-10,14-15H,2,11-13H2,1H3,(H,24,29)