N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4)OC1

InChI

InChI=1S/C19H23N5O3/c25-18(22-15-3-4-16-17(13-15)27-12-2-11-26-16)14-23-7-9-24(10-8-23)19-20-5-1-6-21-19/h1,3-6,13H,2,7-12,14H2,(H,22,25)