1-(3,5-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(3,5-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-(4-phenyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-(4-phenylpiperazino)ethyl]urea Formula: C21H28N4O MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O/c1-17-14-18(2)16-19(15-17)23-21(26)22-8-9-24-10-12-25(13-11-24)20-6-4-3-5-7-20/h3-7,14-16H,8-13H2,1-2H3,(H2,22,23,26)