2-(4-bromophenyl)-7-ethoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-ethoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-ethoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-ethoxy-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-ethoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-ethoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C21H17BrN4O/c1-2-27-17-9-10-19-18(12-17)20(15-4-3-11-23-13-15)25-26-21(24-19)14-5-7-16(22)8-6-14/h3-13,25H,2H2,1H3