4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(2-fluoro-4-methoxy-phenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2-fluoro-4-methoxy-benzyl)-9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H26FNO4 MolecularWeight: 423.476643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC(=CC=C4)OC)F

InChI

InChI=1S/C25H26FNO4/c1-28-21-6-4-5-17(12-21)19-11-20-16-27(9-10-31-25(20)24(13-19)30-3)15-18-7-8-22(29-2)14-23(18)26/h4-8,11-14H,9-10,15-16H2,1-3H3