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

Systemtic Name: 7-bromanyl-2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-isopropylphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-propan-2-ylphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-p-cumenyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H19BrN4 MolecularWeight: 419.31706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H19BrN4/c1-14(2)15-5-7-16(8-6-15)22-25-20-10-9-18(23)12-19(20)21(26-27-22)17-4-3-11-24-13-17/h3-14,26H,1-2H3