9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c1-31-23-14-19(22-9-6-10-24(28-22)32-2)13-20-16-30(11-12-33-26(20)23)17-21-15-27-29-25(21)18-7-4-3-5-8-18/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,27,29)/p+1