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

Systemtic Name: (phenylmethyl) 2-[2-(3-bromophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H21BrClN3O3 MolecularWeight: 502.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C23H21BrClN3O3/c24-17-9-4-8-16(12-17)20-21(25)27-22(26-18-10-5-11-18)23(30)28(20)13-19(29)31-14-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,26,27)