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

Systemtic Name: 2-(4-bromophenyl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-methoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-methoxy-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

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