3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(2-pyridylmethyl)butanamide CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-N-(2-pyridylmethyl)butyramide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H23N5O3/c1-13(2)19(21(29)23-12-14-7-5-6-10-22-14)24-18(27)11-17-15-8-3-4-9-16(15)20(28)26-25-17/h3-10,13,19H,11-12H2,1-2H3,(H,23,29)(H,24,27)(H,26,28)