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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetic acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-19-18(16-11-5-2-6-12-16)25(14-17(26)27)21(28)20(24-19)23-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2,(H,23,24)(H,26,27)