4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2-fluoro-5-methoxy-phenyl)methyl]-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2-fluoro-5-methoxyphenyl)methyl]-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2-fluoro-5-methoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2-fluoro-5-methoxy-benzyl)-7-[[4-(3-pyridyloxy)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H32FN3O3 MolecularWeight: 477.570383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C28H32FN3O3/c1-33-25-5-6-27(29)22(16-25)19-32-13-14-34-28-7-4-21(15-23(28)20-32)18-31-11-8-24(9-12-31)35-26-3-2-10-30-17-26/h2-7,10,15-17,24H,8-9,11-14,18-20H2,1H3