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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(octan-3-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(1-ethylhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(1-ethylhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C27H32ClN3O3 MolecularWeight: 482.01428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3O3/c1-3-5-8-17-22(4-2)29-26-27(33)31(18-23(32)34-19-20-13-9-6-10-14-20)24(25(28)30-26)21-15-11-7-12-16-21/h6-7,9-16,22H,3-5,8,17-19H2,1-2H3,(H,29,30)