1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea

Systemtic Name: 1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea Openeye Name: 1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]methyl]cyclohexyl]urea CAS Name: 1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]cyclohexyl]urea IUPAC Name: 1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea Traditional Name: 1-(3a,7a-dihydro-1H-indazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-(4-fluorobenzyl)piperidino]methyl]cyclohexyl]urea Formula: C27H36FN5O MolecularWeight: 465.606043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2CCCC(C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC5C(C=C4)C=NN5

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC5C(C=C4)C=NN5

InChI

InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15-16,20-22,25-26,32H,1-6,13-14,17-18H2,(H2,30,31,34)/t20-,21?,22-,25+,26?/m0/s1