5-chloranyl-3-[[2-(2-phenylethynyl)phenyl]amino]-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-[[2-(2-phenylethynyl)phenyl]amino]-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-[2-(2-phenylethynyl)anilino]pyrazin-2-one CAS Name: 5-chloro-3-[2-(2-phenylethynyl)anilino]-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-[2-(2-phenylethynyl)anilino]pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-[2-(2-phenylethynyl)anilino]pyrazin-2-one Formula: C25H18ClN3O MolecularWeight: 411.88292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C(C2=O)NC3=CC=CC=C3C#CC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C(C2=O)NC3=CC=CC=C3C#CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H18ClN3O/c26-23-18-29(17-20-11-5-2-6-12-20)25(30)24(28-23)27-22-14-8-7-13-21(22)16-15-19-9-3-1-4-10-19/h1-14,18H,17H2,(H,27,28)