1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[4-(2-pyridyl)piperazino]ethanone Formula: C24H30N4O3 MolecularWeight: 422.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2CCN(CC2)C3=CC=CC=N3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CN2CCN(CC2)C3=CC=CC=N3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H30N4O3/c29-24(18-26-11-13-27(14-12-26)23-6-1-2-9-25-23)28-10-3-5-20(28)19-7-8-21-22(17-19)31-16-4-15-30-21/h1-2,6-9,17,20H,3-5,10-16,18H2/t20-/m1/s1