2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-(4-piperonylpiperazino)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N5O3/c1-14-20(15(2)24(4)23-14)22-21(27)16(3)26-9-7-25(8-10-26)12-17-5-6-18-19(11-17)29-13-28-18/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,27)