[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(1-ethylpyrazol-4-yl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(1-ethyl-4-pyrazolyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone Traditional Name: (1-ethylpyrazol-4-yl)-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N5O3/c1-2-28-15-19(13-24-28)23(29)27-7-3-4-20(16-27)26-10-8-25(9-11-26)14-18-5-6-21-22(12-18)31-17-30-21/h5-6,12-13,15,20H,2-4,7-11,14,16-17H2,1H3