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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-2-chloranyl-benzamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-chloro-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]-2-chlorobenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-chlorobenzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-(4-piperonylpiperazino)ethyl]benzamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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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=C4Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O4/c1-15(24-21(27)17-4-2-3-5-18(17)23)22(28)26-10-8-25(9-11-26)13-16-6-7-19-20(12-16)30-14-29-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,27)/t15-/m0/s1