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

Systemtic Name: 7-bromanyl-5-(4-propoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-propoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-propoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-propoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-propoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H19BrN4O MolecularWeight: 435.31646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

InChI

InChI=1S/C22H19BrN4O/c1-2-12-28-18-8-5-15(6-9-18)21-19-13-17(23)7-10-20(19)25-22(27-26-21)16-4-3-11-24-14-16/h3-11,13-14,26H,2,12H2,1H3