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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(heptan-4-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C26H30ClN3O3 MolecularWeight: 467.9877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O3/c1-3-11-21(12-4-2)28-25-26(32)30(17-22(31)33-18-19-13-7-5-8-14-19)23(24(27)29-25)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3,(H,28,29)