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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N5O3/c1-15(2)26-20(6-7-22-26)23-21(27)16(3)25-10-8-24(9-11-25)13-17-4-5-18-19(12-17)29-14-28-18/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,23,27)