8-bromanyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-8-bromo-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-8-bromo-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C27H21BrN4O2 MolecularWeight: 513.38524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O2/c1-33-25-15-20(7-10-24(25)34-17-18-5-3-2-4-6-18)27-31-23-16-21(28)8-9-22(23)30-26(32-27)19-11-13-29-14-12-19/h2-16H,17H2,1H3,(H,30,31,32)