5-bromanyl-4-pyridin-4-yl-2,3-dihydro-1,3,4-benzotriazepine

Systemtic Name: 5-bromanyl-4-pyridin-4-yl-2,3-dihydro-1,3,4-benzotriazepine Openeye Name: 5-bromo-4-(4-pyridyl)-2,3-dihydro-1,3,4-benzotriazepine CAS Name: 5-bromo-4-pyridin-4-yl-2,3-dihydro-1,3,4-benzotriazepine IUPAC Name: 5-bromo-4-pyridin-4-yl-2,3-dihydro-1,3,4-benzotriazepine Traditional Name: 5-bromo-4-(4-pyridyl)-2,3-dihydro-1,3,4-benzotriazepine Formula: C13H11BrN4 MolecularWeight: 303.15724

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Descriptors Computed from Structure

Canonical SMILES:

C1NN(C(=C2C=CC=CC2=N1)Br)C3=CC=NC=C3

Isomeric SMILES

C1NN(C(=C2C=CC=CC2=N1)Br)C3=CC=NC=C3

InChI

InChI=1S/C13H11BrN4/c14-13-11-3-1-2-4-12(11)16-9-17-18(13)10-5-7-15-8-6-10/h1-8,17H,9H2