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

Systemtic Name: 7-fluoranyl-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-2-(4-isopropylphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-p-cumenyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H19FN4 MolecularWeight: 358.411463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=NC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=NC=C4

InChI

InChI=1S/C22H19FN4/c1-14(2)15-3-5-17(6-4-15)22-25-20-8-7-18(23)13-19(20)21(26-27-22)16-9-11-24-12-10-16/h3-14,26H,1-2H3