9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxy-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

InChI

InChI=1S/C27H28N4O4/c1-32-22-9-7-18(8-10-22)26-21(15-28-30-26)17-31-11-12-35-27-20(16-31)13-19(14-24(27)33-2)23-5-4-6-25(29-23)34-3/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,28,30)