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

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C28H29N3O4/c1-32-24-10-6-9-23(28(24)34-3)20-16-21-18-30(14-15-35-27(21)25(17-20)33-2)19-22-8-7-13-31(22)26-11-4-5-12-29-26/h4-13,16-17H,14-15,18-19H2,1-3H3