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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-(4-piperonylpiperazino)propionamide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H31N3O4/c1-16(25)13-21(2,3)22-20(26)6-7-23-8-10-24(11-9-23)14-17-4-5-18-19(12-17)28-15-27-18/h4-5,12H,6-11,13-15H2,1-3H3,(H,22,26)