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

Systemtic Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-pyridyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-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=CC=NC=C5

Isomeric SMILES

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

InChI

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