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

Systemtic Name: (3S)-3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxamide Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C18H22N6O4/c1-2-24-17(27)13-8-4-3-7-12(13)14(22-24)16(26)21-20-15(25)11-6-5-9-23(10-11)18(19)28/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,28)(H,20,25)(H,21,26)/t11-/m0/s1