1-[3-[1-[2-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]-3-quinolin-3-yl-urea

Systemtic Name: 1-[3-[1-[2-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]-3-quinolin-3-yl-urea Openeye Name: 1-[3-[1-[2-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]-3-(3-quinolyl)urea CAS Name: 1-[3-[1-[2-(4-fluorophenyl)-1-piperazinyl]-4-methylcyclohexyl]phenyl]-3-(3-quinolinyl)urea IUPAC Name: 1-[3-[1-[2-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohexyl]phenyl]-3-quinolin-3-ylurea Traditional Name: 1-[3-[1-[2-(4-fluorophenyl)piperazino]-4-methyl-cyclohexyl]phenyl]-3-(3-quinolyl)urea Formula: C33H36FN5O MolecularWeight: 537.670243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=CC=CC=C4N=C3)N5CCNCC5C6=CC=C(C=C6)F

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=CC=CC=C4N=C3)N5CCNCC5C6=CC=C(C=C6)F

InChI

InChI=1S/C33H36FN5O/c1-23-13-15-33(16-14-23,39-18-17-35-22-31(39)24-9-11-27(34)12-10-24)26-6-4-7-28(20-26)37-32(40)38-29-19-25-5-2-3-8-30(25)36-21-29/h2-12,19-21,23,31,35H,13-18,22H2,1H3,(H2,37,38,40)