3-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H22N6O/c1-29(18-31-25(32)22-14-8-9-15-23(22)26-28-31)16-20-17-30(21-12-6-3-7-13-21)27-24(20)19-10-4-2-5-11-19/h2-15,17H,16,18H2,1H3