1-tert-butyl-3-[6-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(3-fluorobenzoyl)piperazino]-3-pyridyl]urea Formula: C21H26FN5O2 MolecularWeight: 399.461843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN5O2/c1-21(2,3)25-20(29)24-17-7-8-18(23-14-17)26-9-11-27(12-10-26)19(28)15-5-4-6-16(22)13-15/h4-8,13-14H,9-12H2,1-3H3,(H2,24,25,29)