N-(2-cyanoethyl)-N-methyl-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-methyl-acetamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=NC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=NC=C3

InChI

InChI=1S/C20H19N5O2/c1-24(12-4-9-21)19(26)14-25-20(27)17-6-3-2-5-16(17)18(23-25)13-15-7-10-22-11-8-15/h2-3,5-8,10-11H,4,12-14H2,1H3