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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-piperonylpiperazino)ethyl]benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-16(23-21(26)18-5-3-2-4-6-18)22(27)25-11-9-24(10-12-25)14-17-7-8-19-20(13-17)29-15-28-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,23,26)/t16-/m0/s1