N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: 3,5-dimethoxy-N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C26H33N3O6/c1-17(2)24(27-25(30)19-12-20(32-3)14-21(13-19)33-4)26(31)29-9-7-28(8-10-29)15-18-5-6-22-23(11-18)35-16-34-22/h5-6,11-14,17,24H,7-10,15-16H2,1-4H3,(H,27,30)/t24-/m0/s1