9-methoxy-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=CC=CC=N4)C5=CC=CS5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=CC=CC=N4)C5=CC=CS5

InChI

InChI=1S/C24H23N3O2S/c1-28-21-15-18(22-7-5-13-30-22)14-19-16-26(11-12-29-24(19)21)17-20-6-4-10-27(20)23-8-2-3-9-25-23/h2-10,13-15H,11-12,16-17H2,1H3