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

Systemtic Name: 1-[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridyl]-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-[2-(4-cyclopentyl-1-piperazinyl)-4-pyridinyl]-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-[2-(4-cyclopentylpiperazino)-4-pyridyl]-3-(4-fluorobenzyl)urea Formula: C22H28FN5O MolecularWeight: 397.489023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=NC=CC(=C3)NC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=NC=CC(=C3)NC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN5O/c23-18-7-5-17(6-8-18)16-25-22(29)26-19-9-10-24-21(15-19)28-13-11-27(12-14-28)20-3-1-2-4-20/h5-10,15,20H,1-4,11-14,16H2,(H2,24,25,26,29)