1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(3-chloro-4-fluoro-phenyl)urea Formula: C25H32ClFN4O2 MolecularWeight: 474.998583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClFN4O2/c1-2-3-4-5-6-7-24(32)31-16-14-30(15-17-31)21-11-8-19(9-12-21)28-25(33)29-20-10-13-23(27)22(26)18-20/h8-13,18H,2-7,14-17H2,1H3,(H2,28,29,33)