5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(2-fluorophenyl)-4H-1,3,4-benzotriazepine Formula: C24H22FN3O MolecularWeight: 387.449383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CC=C4F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CC=C4F

InChI

InChI=1S/C24H22FN3O/c1-2-3-16-29-18-14-12-17(13-15-18)23-20-9-5-7-11-22(20)26-24(28-27-23)19-8-4-6-10-21(19)25/h4-15,27H,2-3,16H2,1H3