1-(3-ethanoylphenyl)-3-[3-[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[3-[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]propyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[3-(3-benzyl-5-oxo-piperazin-1-yl)propyl]urea CAS Name: 1-(3-acetylphenyl)-3-[3-[3-oxo-5-(phenylmethyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[3-(3-benzyl-5-oxopiperazin-1-yl)propyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[3-(3-benzyl-5-keto-piperazino)propyl]urea Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CC(NC(=O)C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NCCCN2CC(NC(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-17(28)19-9-5-10-20(14-19)26-23(30)24-11-6-12-27-15-21(25-22(29)16-27)13-18-7-3-2-4-8-18/h2-5,7-10,14,21H,6,11-13,15-16H2,1H3,(H,25,29)(H2,24,26,30)