7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(3-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CCCC3=CC=CC=C3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(CN1CCCC3=CC=CC=C3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O2S/c28-22-16-19(25-26-21-10-4-5-11-23(21)30-25)15-20-17-27(13-14-29-24(20)22)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,15-16,28H,6,9,12-14,17H2