2-(4-tert-butylphenyl)-5-pyridin-3-yl-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-5-pyridin-3-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3-pyridinyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-pyridin-3-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C27H24N4 MolecularWeight: 404.50626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CN=CC=C5

InChI

InChI=1S/C27H24N4/c1-27(2,3)21-13-10-19(11-14-21)26-29-25-22-9-5-4-7-18(22)12-15-23(25)24(30-31-26)20-8-6-16-28-17-20/h4-17,30H,1-3H3