2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-20-19(17-12-5-2-6-13-17)26(15-18(27)28)22(29)21(25-20)24-14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13H,7-8,11,14-15H2,(H,24,25)(H,27,28)