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

Systemtic Name: 7-(5-chloranylpyridin-2-yl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(5-chloro-2-pyridyl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(5-chloro-2-pyridinyl)-9-methoxy-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(5-chloropyridin-2-yl)-9-methoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(5-chloro-2-pyridyl)-9-methoxy-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H22ClN5O2 MolecularWeight: 447.91678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CC=N4)C5=NC=C(C=C5)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CC=N4)C5=NC=C(C=C5)Cl

InChI

InChI=1S/C24H22ClN5O2/c1-31-22-13-17(21-6-5-19(25)14-28-21)12-18-15-29(10-11-32-23(18)22)16-20-4-2-9-30(20)24-26-7-3-8-27-24/h2-9,12-14H,10-11,15-16H2,1H3