5-chloranyl-3-[[2-(3-oxidanylprop-1-ynyl)phenyl]amino]-6-phenyl-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-[[2-(3-oxidanylprop-1-ynyl)phenyl]amino]-6-phenyl-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-pyrazin-2-one CAS Name: 5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenylpyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-6-phenyl-pyrazin-2-one Formula: C26H20ClN3O2 MolecularWeight: 441.9089

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClN3O2/c27-24-23(21-13-5-2-6-14-21)30(18-19-10-3-1-4-11-19)26(32)25(29-24)28-22-16-8-7-12-20(22)15-9-17-31/h1-8,10-14,16,31H,17-18H2,(H,28,29)