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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexyl-propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexyl-propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-cyclohexylpropanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexylpropanamide Traditional Name: N-cyclohexyl-2-(4-piperonylpiperazino)propionamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1CCCCC1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H31N3O3/c1-16(21(25)22-18-5-3-2-4-6-18)24-11-9-23(10-12-24)14-17-7-8-19-20(13-17)27-15-26-19/h7-8,13,16,18H,2-6,9-12,14-15H2,1H3,(H,22,25)