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

Systemtic Name: 7-bromanyl-5-(4-methylphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(p-tolyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-methylphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-methylphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(p-tolyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C20H15BrN4 MolecularWeight: 391.2639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

InChI

InChI=1S/C20H15BrN4/c1-13-4-6-14(7-5-13)19-17-11-16(21)8-9-18(17)23-20(25-24-19)15-3-2-10-22-12-15/h2-12,24H,1H3