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

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-N-ethyl-propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-benzyl-N-ethylpropanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-(4-piperonylpiperazino)propionamide Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O3/c1-3-26(17-20-7-5-4-6-8-20)24(28)19(2)27-13-11-25(12-14-27)16-21-9-10-22-23(15-21)30-18-29-22/h4-10,15,19H,3,11-14,16-18H2,1-2H3/t19-/m0/s1