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

Systemtic Name: 1-tert-butyl-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(4-fluorobenzyl)piperazino]-3-pyridyl]urea Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5O/c1-21(2,3)25-20(28)24-18-8-9-19(23-14-18)27-12-10-26(11-13-27)15-16-4-6-17(22)7-5-16/h4-9,14H,10-13,15H2,1-3H3,(H2,24,25,28)