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

Systemtic Name: 7-bromanyl-2-(4-methoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-methoxyphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-methoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-methoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-methoxyphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=NC=C4

InChI

InChI=1S/C20H15BrN4O/c1-26-16-5-2-14(3-6-16)20-23-18-7-4-15(21)12-17(18)19(24-25-20)13-8-10-22-11-9-13/h2-12,24H,1H3