3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-dimethylaminoethyl)urea Formula: C24H26ClFN4O MolecularWeight: 440.940843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCC2(C1C2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN(C)CCN([C@@H]1CC[C@]2([C@@H]1C2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H26ClFN4O/c1-29(2)10-11-30(23(31)28-18-6-7-21(26)20(25)13-18)22-8-9-24(14-19(22)24)17-5-3-4-16(12-17)15-27/h3-7,12-13,19,22H,8-11,14H2,1-2H3,(H,28,31)/t19-,22-,24-/m1/s1