4-[(4-fluorophenyl)methyl]-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(4-fluorophenyl)methyl]-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(4-fluorophenyl)methyl]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(4-fluorophenyl)methyl]-7-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(4-fluorophenyl)methyl]-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(4-fluorobenzyl)-7-[[4-(2-pyridyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29FN4O MolecularWeight: 432.533063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)F)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)F)C5=CC=CC=N5

InChI

InChI=1S/C26H29FN4O/c27-24-7-4-21(5-8-24)18-30-15-16-32-25-9-6-22(17-23(25)20-30)19-29-11-13-31(14-12-29)26-3-1-2-10-28-26/h1-10,17H,11-16,18-20H2