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

Systemtic Name: 5-(4-butoxyphenyl)-2-pyridin-3-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(3-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(3-pyridinyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-pyridin-3-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(3-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CN=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CN=CC=C5

InChI

InChI=1S/C27H24N4O/c1-2-3-17-32-22-13-10-20(11-14-22)25-24-15-12-19-7-4-5-9-23(19)26(24)29-27(31-30-25)21-8-6-16-28-18-21/h4-16,18,30H,2-3,17H2,1H3