7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O2S/c1-27-20-13-16(23-25-19-7-2-3-8-21(19)29-23)12-17-14-26(10-11-28-22(17)20)15-18-6-4-5-9-24-18/h2-9,12-13H,10-11,14-15H2,1H3