3-[5-(4-bromophenyl)-3-methyl-pyrazol-1-yl]-5-chloranyl-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 3-[5-(4-bromophenyl)-3-methyl-pyrazol-1-yl]-5-chloranyl-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-3-[5-(4-bromophenyl)-3-methyl-pyrazol-1-yl]-5-chloro-pyrazin-2-one CAS Name: 3-[5-(4-bromophenyl)-3-methyl-1-pyrazolyl]-5-chloro-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-3-[5-(4-bromophenyl)-3-methylpyrazol-1-yl]-5-chloropyrazin-2-one Traditional Name: 1-benzyl-3-[5-(4-bromophenyl)-3-methyl-pyrazol-1-yl]-5-chloro-pyrazin-2-one Formula: C21H16BrClN4O MolecularWeight: 455.73494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=NC(=CN(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=C(C=C2)Br)C3=NC(=CN(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16BrClN4O/c1-14-11-18(16-7-9-17(22)10-8-16)27(25-14)20-21(28)26(13-19(23)24-20)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3