8-bromanyl-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-bromo-2-phenyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-bromo-2-phenyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C19H13BrN4 MolecularWeight: 377.23732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C19H13BrN4/c20-15-6-7-16-17(12-15)23-18(13-4-2-1-3-5-13)24-19(22-16)14-8-10-21-11-9-14/h1-12H,(H,22,23,24)