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

Systemtic Name: 2-[5-chloranyl-3-(heptan-4-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetic acid Formula: C19H24ClN3O3 MolecularWeight: 377.86516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3/c1-3-8-14(9-4-2)21-18-19(26)23(12-15(24)25)16(17(20)22-18)13-10-6-5-7-11-13/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3,(H,21,22)(H,24,25)