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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C25H31N3O5 MolecularWeight: 453.53074

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-17(2)23(26-24(29)19-5-7-20(31-3)8-6-19)25(30)28-12-10-27(11-13-28)15-18-4-9-21-22(14-18)33-16-32-21/h4-9,14,17,23H,10-13,15-16H2,1-3H3,(H,26,29)/t23-/m0/s1