1-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea

Systemtic Name: 1-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea Openeye Name: 1-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea CAS Name: 1-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-(3-fluorophenyl)urea Traditional Name: 1-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]-3-(3-fluorophenyl)urea Formula: C23H29FN4O2 MolecularWeight: 412.500363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H29FN4O2/c1-3-17(4-2)22(29)28-14-12-27(13-15-28)21-10-8-19(9-11-21)25-23(30)26-20-7-5-6-18(24)16-20/h5-11,16-17H,3-4,12-15H2,1-2H3,(H2,25,26,30)