N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(6-imidazol-1-yl-3-pyridyl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C25H20N6O2 MolecularWeight: 436.4653

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)NCC4=CN=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CN=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H20N6O2/c32-24(28-15-19-10-11-22(27-14-19)30-13-12-26-17-30)23-20-8-4-5-9-21(20)25(33)31(29-23)16-18-6-2-1-3-7-18/h1-14,17H,15-16H2,(H,28,32)