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

Systemtic Name: 7-bromanyl-5-(4-methoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-methoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-methoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-methoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-methoxyphenyl)-2-(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=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)Br

InChI

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