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

Systemtic Name: 3-[(E)-2-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one Openeye Name: 3-[(E)-2-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)vinyl]-1H-quinoxalin-2-one CAS Name: 3-[(E)-2-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]ethenyl]-1H-quinoxalin-2-one IUPAC Name: 3-[(E)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one Traditional Name: 3-[(E)-2-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)vinyl]-1H-quinoxalin-2-one Formula: C18H19ClN4O MolecularWeight: 342.82266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O/c1-11(2)10-23-17(19)13(12(3)22-23)8-9-16-18(24)21-15-7-5-4-6-14(15)20-16/h4-9,11H,10H2,1-3H3,(H,21,24)/b9-8+