2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperazino]-1-piperidino-ethanone Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CC(=O)N5CCCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCN(CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C25H33N5O4/c1-27-17-20(24(26-27)19-6-7-21-22(16-19)34-15-5-14-33-21)25(32)30-12-10-28(11-13-30)18-23(31)29-8-3-2-4-9-29/h6-7,16-17H,2-5,8-15,18H2,1H3