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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-(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)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N4O5/c1-16-18(3-2-4-19(16)26(28)29)23-22(27)7-8-24-9-11-25(12-10-24)14-17-5-6-20-21(13-17)31-15-30-20/h2-6,13H,7-12,14-15H2,1H3,(H,23,27)