3-[(4-tert-butylphenyl)methyl]-7-phenyl-pyrazolo[3,4-d][1,2,3]triazin-4-one

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-7-phenyl-pyrazolo[3,4-d][1,2,3]triazin-4-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-7-phenyl-pyrazolo[3,4-d]triazin-4-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-7-phenyl-4-pyrazolo[3,4-d]triazinone IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-7-phenylpyrazolo[3,4-d]triazin-4-one Traditional Name: 3-(4-tert-butylbenzyl)-7-phenyl-pyrazolo[3,4-d]triazin-4-one Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3=C(N=N2)N(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-21(2,3)16-11-9-15(10-12-16)14-25-20(27)18-13-22-26(19(18)23-24-25)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3