3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(2-oxidanylpropyl)-1-phenethyl-urea

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(2-oxidanylpropyl)-1-phenethyl-urea Openeye Name: 3-[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-(2-hydroxypropyl)-1-phenethyl-urea CAS Name: 1-(2-hydroxypropyl)-3-[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]-1-phenethylurea IUPAC Name: 1-(2-hydroxypropyl)-3-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1-phenethylurea Traditional Name: 3-[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]-1-(2-hydroxypropyl)-1-phenethyl-urea Formula: C26H36N4O3 MolecularWeight: 452.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)O

Isomeric SMILES

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C)O

InChI

InChI=1S/C26H36N4O3/c1-21(31)20-30(14-13-22-9-5-3-6-10-22)26(33)27-24(19-23-11-7-4-8-12-23)25(32)29-17-15-28(2)16-18-29/h3-12,21,24,31H,13-20H2,1-2H3,(H,27,33)