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

Systemtic Name: 2-(4-bromophenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-methoxy-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methoxy-5-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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