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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(hexan-2-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(1-methylpentylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-3-(1-methylpentylamino)-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H28ClN3O3/c1-3-4-11-18(2)27-24-25(31)29(16-21(30)32-17-19-12-7-5-8-13-19)22(23(26)28-24)20-14-9-6-10-15-20/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H,27,28)