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

Systemtic Name: 7-bromanyl-2-(4-methylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(p-tolyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-methylphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-methylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(p-tolyl)-5-(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=NNC(=C3C=C(C=CC3=N2)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CN=CC=C4

InChI

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