1-cyclohexyl-3-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]urea

Systemtic Name: 1-cyclohexyl-3-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]urea Openeye Name: 1-cyclohexyl-3-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridyl]methyl]urea CAS Name: 1-cyclohexyl-3-[[2-(4-cyclopentyl-1-piperazinyl)-4-pyridinyl]methyl]urea IUPAC Name: 1-cyclohexyl-3-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]urea Traditional Name: 1-cyclohexyl-3-[[2-(4-cyclopentylpiperazino)-4-pyridyl]methyl]urea Formula: C22H35N5O MolecularWeight: 385.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C4CCCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C4CCCC4

InChI

InChI=1S/C22H35N5O/c28-22(25-19-6-2-1-3-7-19)24-17-18-10-11-23-21(16-18)27-14-12-26(13-15-27)20-8-4-5-9-20/h10-11,16,19-20H,1-9,12-15,17H2,(H2,24,25,28)