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

Systemtic Name: 7-fluoranyl-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C27H21FN4O2 MolecularWeight: 452.479643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)F)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)F)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21FN4O2/c1-33-25-14-19(9-12-24(25)34-17-18-6-3-2-4-7-18)26-22-15-21(28)10-11-23(22)30-27(32-31-26)20-8-5-13-29-16-20/h2-16,31H,17H2,1H3