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

Systemtic Name: 2-[5-chloranyl-3-(hexan-2-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(1-methylpentylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-3-(1-methylpentylamino)-6-phenyl-pyrazin-1-yl]acetic acid Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-3-4-8-12(2)20-17-18(25)22(11-14(23)24)15(16(19)21-17)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,20,21)(H,23,24)