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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(4-phenylbutylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C29H28ClN3O3 MolecularWeight: 502.00392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H28ClN3O3/c30-27-26(24-17-8-3-9-18-24)33(20-25(34)36-21-23-15-6-2-7-16-23)29(35)28(32-27)31-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18H,10-11,14,19-21H2,(H,31,32)