5-chloranyl-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-(3-methyl-5-phenyl-pyrazol-1-yl)-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-(3-methyl-5-phenyl-pyrazol-1-yl)pyrazin-2-one CAS Name: 5-chloro-3-(3-methyl-5-phenyl-1-pyrazolyl)-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-(3-methyl-5-phenylpyrazol-1-yl)pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-(3-methyl-5-phenyl-pyrazol-1-yl)pyrazin-2-one Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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