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

Systemtic Name: 1-(4-dimethylaminophenyl)-3-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea Openeye Name: 1-(4-dimethylaminophenyl)-3-[(2R,3R)-2-(3-pyridylmethyl)quinuclidin-3-yl]urea CAS Name: 1-(4-dimethylaminophenyl)-3-[(2R,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea IUPAC Name: 1-(4-dimethylaminophenyl)-3-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea Traditional Name: 1-(4-dimethylaminophenyl)-3-[(2R,3R)-2-(3-pyridylmethyl)quinuclidin-3-yl]urea Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)NC2C3CCN(C2CC4=CN=CC=C4)CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)N[C@H]2[C@H](N3CCC2CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H29N5O/c1-26(2)19-7-5-18(6-8-19)24-22(28)25-21-17-9-12-27(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H2,24,25,28)/t20-,21-/m1/s1