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

Systemtic Name: 4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(4-fluoro-3-methoxy-phenyl)methyl]-7-[[4-(3-pyridyloxy)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(4-fluoro-3-methoxyphenyl)methyl]-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(4-fluoro-3-methoxyphenyl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(4-fluoro-3-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=C(C=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OC5=CN=CC=C5)F

Isomeric SMILES

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

InChI

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