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

Systemtic Name: 8-fluoranyl-2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-2-(4-isopropylphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-2-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-2-p-cumenyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C22H19FN4 MolecularWeight: 358.411463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=NC=C4

InChI

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