4-oxidanylidene-3-(phenylmethyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]phthalazine-1-carboxamide Formula: C23H17N7O2 MolecularWeight: 423.42678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CN=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CN=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C23H17N7O2/c31-22(27-17-10-11-20(25-12-17)30-15-24-14-26-30)21-18-8-4-5-9-19(18)23(32)29(28-21)13-16-6-2-1-3-7-16/h1-12,14-15H,13H2,(H,27,31)