2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)piperazino]-1-piperidino-ethanone Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H29N3O4/c25-20(23-7-2-1-3-8-23)16-22-9-11-24(12-10-22)21(26)17-5-6-18-19(15-17)28-14-4-13-27-18/h5-6,15H,1-4,7-14,16H2