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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@@H](N(C1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H29N5O3/c29-22(26-10-12-27(13-11-26)23-24-7-2-8-25-23)17-28-9-1-4-19(28)18-5-6-20-21(16-18)31-15-3-14-30-20/h2,5-8,16,19H,1,3-4,9-15,17H2/t19-/m1/s1