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

Systemtic Name: 5-chloranyl-3-[[2-(3-oxidanylprop-1-ynyl)phenyl]amino]-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]pyrazin-2-one CAS Name: 5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]pyrazin-2-one Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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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#CCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2/c21-18-14-24(13-15-7-2-1-3-8-15)20(26)19(23-18)22-17-11-5-4-9-16(17)10-6-12-25/h1-5,7-9,11,14,25H,12-13H2,(H,22,23)