2-[4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide Traditional Name: 2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]piperazino]-2-phenyl-acetamide Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C(=O)N)OCO2

InChI

InChI=1S/C23H26N4O5/c1-15(28)17-11-19-20(32-14-31-19)12-18(17)25-21(29)13-26-7-9-27(10-8-26)22(23(24)30)16-5-3-2-4-6-16/h2-6,11-12,22H,7-10,13-14H2,1H3,(H2,24,30)(H,25,29)