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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-2-oxo-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(3-phenylpropylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O3/c29-26-25(23-16-8-3-9-17-23)32(19-24(33)35-20-22-13-6-2-7-14-22)28(34)27(31-26)30-18-10-15-21-11-4-1-5-12-21/h1-9,11-14,16-17H,10,15,18-20H2,(H,30,31)