[5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]-[4-(1-phenylethyl)piperazin-1-yl]methanone

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]-[4-(1-phenylethyl)piperazin-1-yl]methanone Openeye Name: [5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]-[4-(1-phenylethyl)piperazin-1-yl]methanone CAS Name: [5-(1,3-benzodioxol-5-yl)-1-ethyl-3-pyrazolyl]-[4-(1-phenylethyl)-1-piperazinyl]methanone IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1-ethylpyrazol-3-yl]-[4-(1-phenylethyl)piperazin-1-yl]methanone Traditional Name: [5-(1,3-benzodioxol-5-yl)-1-ethyl-pyrazol-3-yl]-[4-(1-phenylethyl)piperazino]methanone Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O3/c1-3-29-22(20-9-10-23-24(15-20)32-17-31-23)16-21(26-29)25(30)28-13-11-27(12-14-28)18(2)19-7-5-4-6-8-19/h4-10,15-16,18H,3,11-14,17H2,1-2H3