(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-(4-piperonylpiperazino)propionamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O5/c1-15-11-18(26(28)29)4-5-19(15)23-22(27)16(2)25-9-7-24(8-10-25)13-17-3-6-20-21(12-17)31-14-30-20/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1