[2,6-bis(chloranyl)pyridin-4-yl]-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamic acid

Systemtic Name: [2,6-bis(chloranyl)pyridin-4-yl]-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamic acid Openeye Name: (3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl-(2,6-dichloro-4-pyridyl)carbamic acid CAS Name: (2,6-dichloro-4-pyridinyl)-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamic acid IUPAC Name: (3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl-(2,6-dichloropyridin-4-yl)carbamic acid Traditional Name: (3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl-(2,6-dichloro-4-pyridyl)carbamic acid Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1CN2CC3=CC=CC=C3)CN(C4=CC(=NC(=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC2C(C1CN2CC3=CC=CC=C3)CN(C4=CC(=NC(=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H21Cl2N3O2/c21-18-8-15(9-19(22)23-18)25(20(26)27)12-16-14-6-7-17(16)24(11-14)10-13-4-2-1-3-5-13/h1-5,8-9,14,16-17H,6-7,10-12H2,(H,26,27)