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

Systemtic Name: 1-(2-methylphenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]urea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]urea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(2-methylphenyl)urea Traditional Name: 1-[3-(4-benzylpiperazino)propanoylamino]-3-(o-tolyl)urea Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NNC(=O)CCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NNC(=O)CCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-18-7-5-6-10-20(18)23-22(29)25-24-21(28)11-12-26-13-15-27(16-14-26)17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,24,28)(H2,23,25,29)