N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN=C(C=C3)OC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN=C(C=C3)OC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H26N4O3/c1-4-13-30-26(32)21-8-6-5-7-20(21)24(29-30)25(31)28-16-19-11-12-23(27-15-19)33-22-14-17(2)9-10-18(22)3/h5-12,14-15H,4,13,16H2,1-3H3,(H,28,31)