3-[(E)-2-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[(E)-2-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one Openeye Name: 3-[(E)-2-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)vinyl]-1H-quinoxalin-2-one CAS Name: 3-[(E)-2-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]ethenyl]-1H-quinoxalin-2-one IUPAC Name: 3-[(E)-2-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)ethenyl]-1H-quinoxalin-2-one Traditional Name: 3-[(E)-2-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)vinyl]-1H-quinoxalin-2-one Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=NC3=CC=CC=C3NC2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C2=NC3=CC=CC=C3NC2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O/c1-14-16(20(22)26(25-14)13-15-7-3-2-4-8-15)11-12-19-21(27)24-18-10-6-5-9-17(18)23-19/h2-12H,13H2,1H3,(H,24,27)/b12-11+