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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(6-morpholino-3-pyridyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(6-morpholino-3-pyridyl)methyl]phthalazine-1-carboxamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

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