2-[3-(1-adamantylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1-adamantylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)O)C5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H24ClN3O3/c23-19-18(16-4-2-1-3-5-16)26(12-17(27)28)21(29)20(24-19)25-22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,13-15H,6-12H2,(H,24,25)(H,27,28)