3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-thiazol-2-ylpyrrolidin-1-yl)propan-1-one CAS Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(2-thiazolyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-thiazol-2-ylpyrrolidino)propan-1-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)C5=NC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CCN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4)C5=NC=CS5

InChI

InChI=1S/C25H27N3O2S/c29-24(28-14-6-10-21(28)25-26-13-16-31-25)12-15-27-17-20-9-4-5-11-22(20)30-23(18-27)19-7-2-1-3-8-19/h1-5,7-9,11,13,16,21,23H,6,10,12,14-15,17-18H2