4-(1-benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(1-benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1-benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxy-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1-benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(benzothiophen-2-ylmethyl)-9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O3S/c1-28-22-14-18(21-7-5-9-24(26-21)29-2)12-19-15-27(10-11-30-25(19)22)16-20-13-17-6-3-4-8-23(17)31-20/h3-9,12-14H,10-11,15-16H2,1-2H3