1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 1,3,7-triphenylpyrazolo[3,4-b][1,5]benzoxazepine Formula: C28H19N3O MolecularWeight: 413.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=C(C=N3)C(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=C(C=N3)C(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H19N3O/c1-4-10-20(11-5-1)22-16-17-26-25(18-22)29-19-24-27(21-12-6-2-7-13-21)30-31(28(24)32-26)23-14-8-3-9-15-23/h1-19H