7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=NN1C)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4O2S/c1-14-17(11-23-25(14)2)13-26-7-8-28-21-16(12-26)9-15(10-19(21)27)22-24-18-5-3-4-6-20(18)29-22/h3-6,9-11,27H,7-8,12-13H2,1-2H3