1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-piperonylpiperazino)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=NC=N4

InChI

InChI=1S/C17H21N5O3/c1-13(22-11-18-10-19-22)17(23)21-6-4-20(5-7-21)9-14-2-3-15-16(8-14)25-12-24-15/h2-3,8,10-11,13H,4-7,9,12H2,1H3