5-chloranyl-3-[(2-ethynylphenyl)amino]-6-methyl-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-[(2-ethynylphenyl)amino]-6-methyl-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-(2-ethynylanilino)-6-methyl-pyrazin-2-one CAS Name: 5-chloro-3-(2-ethynylanilino)-6-methyl-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-(2-ethynylanilino)-6-methylpyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-(2-ethynylanilino)-6-methyl-pyrazin-2-one Formula: C20H16ClN3O MolecularWeight: 349.81354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC2=CC=CC=C2)NC3=CC=CC=C3C#C)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC2=CC=CC=C2)NC3=CC=CC=C3C#C)Cl

InChI

InChI=1S/C20H16ClN3O/c1-3-16-11-7-8-12-17(16)22-19-20(25)24(14(2)18(21)23-19)13-15-9-5-4-6-10-15/h1,4-12H,13H2,2H3,(H,22,23)