N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]ethanamide Openeye Name: N-[(1S)-2-methyl-1-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]propyl]acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]butan-2-yl]acetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[2-(4-oxo-3-pentylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-propyl]acetamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C21H29N5O4/c1-5-6-9-12-26-21(30)16-11-8-7-10-15(16)18(25-26)20(29)24-23-19(28)17(13(2)3)22-14(4)27/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t17-/m0/s1