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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-fluoro-4-methoxy-phenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-fluoro-4-methoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-fluoro-4-methoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(2-fluoro-4-methoxy-benzyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H23FN2O3S MolecularWeight: 450.525123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4)F

InChI

InChI=1S/C25H23FN2O3S/c1-29-19-8-7-16(20(26)13-19)14-28-9-10-31-24-18(15-28)11-17(12-22(24)30-2)25-27-21-5-3-4-6-23(21)32-25/h3-8,11-13H,9-10,14-15H2,1-2H3