5-(4-butoxyphenyl)-7-fluoranyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-fluoranyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O/c1-2-3-14-29-19-7-4-16(5-8-19)22-20-15-18(24)6-9-21(20)26-23(28-27-22)17-10-12-25-13-11-17/h4-13,15,27H,2-3,14H2,1H3