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

Systemtic Name: N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C25H20N6O2 MolecularWeight: 436.4653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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