1-(2-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]urea

Systemtic Name: 1-(2-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]urea Openeye Name: 1-(o-tolyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]urea CAS Name: 1-(2-methylphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]urea IUPAC Name: 1-(2-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]urea Traditional Name: 1-(o-tolyl)-3-[3-(4-phenylpiperazino)propanoylamino]urea Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-17-7-5-6-10-19(17)22-21(28)24-23-20(27)11-12-25-13-15-26(16-14-25)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,23,27)(H2,22,24,28)