1-[1-(2-methylphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-[1-(2-methylphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea Openeye Name: [3-(4-benzylpiperazin-1-yl)-1-(o-tolyl)-3-oxo-propyl]urea CAS Name: [1-(2-methylphenyl)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]urea IUPAC Name: [3-(4-benzylpiperazin-1-yl)-1-(2-methylphenyl)-3-oxopropyl]urea Traditional Name: [3-(4-benzylpiperazino)-3-keto-1-(o-tolyl)propyl]urea Formula: C22H28N4O2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H28N4O2/c1-17-7-5-6-10-19(17)20(24-22(23)28)15-21(27)26-13-11-25(12-14-26)16-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3,(H3,23,24,28)