N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-keto-phthalazine-1-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4/c29-24(26-15-18-10-11-21-22(14-18)32-13-12-31-21)23-19-8-4-5-9-20(19)25(30)28(27-23)16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,26,29)