N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2-morpholino-3-pyridyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(2-morpholino-3-pyridyl)methyl]phthalazine-1-carboxamide Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3/c32-25(28-17-20-9-6-12-27-24(20)30-13-15-34-16-14-30)23-21-10-4-5-11-22(21)26(33)31(29-23)18-19-7-2-1-3-8-19/h1-12H,13-18H2,(H,28,32)