N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-[4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-[4-(2-pyridyl)piperazino]acetamide Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H32N4O3/c1-18(2)24(19-7-8-20-21(16-19)31-15-5-14-30-20)26-23(29)17-27-10-12-28(13-11-27)22-6-3-4-9-25-22/h3-4,6-9,16,18,24H,5,10-15,17H2,1-2H3,(H,26,29)/t24-/m0/s1