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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

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