(phenylmethyl) 2-[5-chloranyl-3-(cyclohexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(cyclohexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(cyclohexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O3/c26-23-22(19-12-6-2-7-13-19)29(16-21(30)32-17-18-10-4-1-5-11-18)25(31)24(28-23)27-20-14-8-3-9-15-20/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,27,28)