3-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1-(1-ethyl-4-piperidyl)-1-[(4-fluorophenyl)methyl]urea CAS Name: 3-(4-bromo-3-methylphenyl)-1-(1-ethyl-4-piperidinyl)-1-[(4-fluorophenyl)methyl]urea IUPAC Name: 3-(4-bromo-3-methylphenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1-(1-ethyl-4-piperidyl)-1-(4-fluorobenzyl)urea Formula: C22H27BrFN3O MolecularWeight: 448.371683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCN1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrFN3O/c1-3-26-12-10-20(11-13-26)27(15-17-4-6-18(24)7-5-17)22(28)25-19-8-9-21(23)16(2)14-19/h4-9,14,20H,3,10-13,15H2,1-2H3,(H,25,28)