(3S)-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C19H24N6O4/c1-2-9-25-18(28)14-8-4-3-7-13(14)15(23-25)17(27)22-21-16(26)12-6-5-10-24(11-12)19(20)29/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,20,29)(H,21,26)(H,22,27)/t12-/m0/s1