1-[(4-bromophenyl)methyl]-3-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea Openeye Name: 1-[(4-bromophenyl)methyl]-3-[(2R,3R)-2-(3-pyridylmethyl)quinuclidin-3-yl]urea CAS Name: 1-[(4-bromophenyl)methyl]-3-[(2R,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea Traditional Name: 1-(4-bromobenzyl)-3-[(2R,3R)-2-(3-pyridylmethyl)quinuclidin-3-yl]urea Formula: C21H25BrN4O MolecularWeight: 429.3534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN2CCC1[C@H]([C@H]2CC3=CN=CC=C3)NC(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H25BrN4O/c22-18-5-3-15(4-6-18)14-24-21(27)25-20-17-7-10-26(11-8-17)19(20)12-16-2-1-9-23-13-16/h1-6,9,13,17,19-20H,7-8,10-12,14H2,(H2,24,25,27)/t19-,20-/m1/s1