7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-4-(1H-pyrrol-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC=CN3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1CC3=CC=CN3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C29H27N3O2S/c1-2-9-28-25(8-1)26(20-35-28)21-16-22-18-32(19-24-7-5-12-31-24)13-15-34-29(22)27(17-21)33-14-10-23-6-3-4-11-30-23/h1-9,11-12,16-17,20,31H,10,13-15,18-19H2