1-[1-methyl-2-(3-oxidanylpropyl)-4-(3-phenylpropanoyl)piperazin-2-yl]-3-phenethyl-urea

Systemtic Name: 1-[1-methyl-2-(3-oxidanylpropyl)-4-(3-phenylpropanoyl)piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(3-hydroxypropyl)-1-methyl-4-(3-phenylpropanoyl)piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(3-hydroxypropyl)-1-methyl-4-(1-oxo-3-phenylpropyl)-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(3-hydroxypropyl)-1-methyl-4-(3-phenylpropanoyl)piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[4-hydrocinnamoyl-2-(3-hydroxypropyl)-1-methyl-piperazin-2-yl]-3-phenethyl-urea Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1(CCCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1(CCCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O3/c1-29-18-19-30(24(32)14-13-22-9-4-2-5-10-22)21-26(29,16-8-20-31)28-25(33)27-17-15-23-11-6-3-7-12-23/h2-7,9-12,31H,8,13-21H2,1H3,(H2,27,28,33)