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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O5/c1-4-32-21-8-6-20(7-9-21)25(30)27-24(18(2)3)26(31)29-13-11-28(12-14-29)16-19-5-10-22-23(15-19)34-17-33-22/h5-10,15,18,24H,4,11-14,16-17H2,1-3H3,(H,27,30)/t24-/m0/s1