N-(3,5-dimethylphenyl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)C

InChI

InChI=1S/C24H22N4O2/c1-16-11-17(2)13-19(12-16)26-23(29)15-28-24(30)21-6-4-3-5-20(21)22(27-28)14-18-7-9-25-10-8-18/h3-13H,14-15H2,1-2H3,(H,26,29)