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

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-N-p-cumenyl-2-(4-piperonylpiperazino)propionamide Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O3/c1-17(2)20-5-7-21(8-6-20)25-24(28)18(3)27-12-10-26(11-13-27)15-19-4-9-22-23(14-19)30-16-29-22/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,25,28)/t18-/m0/s1