1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-cyclohexyl-urea

Systemtic Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-cyclohexyl-urea Openeye Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-cyclohexyl-urea CAS Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-cyclohexylurea IUPAC Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-cyclohexylurea Traditional Name: 1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-3-cyclohexyl-urea Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NC2CCCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC(=O)NC2CCCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H32N4O3/c1-24-9-11-25(12-10-24)18(16-7-8-19-20(13-16)28-15-27-19)14-22-21(26)23-17-5-3-2-4-6-17/h7-8,13,17-18H,2-6,9-12,14-15H2,1H3,(H2,22,23,26)/t18-/m1/s1