1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-phenyl-ethanone CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-phenylethanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-phenylethanone Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-phenyl-ethanone Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO3/c23-21(14-16-6-2-1-3-7-16)22-11-4-8-18(22)17-9-10-19-20(15-17)25-13-5-12-24-19/h1-3,6-7,9-10,15,18H,4-5,8,11-14H2/t18-/m0/s1