N-[[1-(4-azanyl-2-chloranyl-3-fluoranyl-phenyl)pyrrolidin-3-yl]methyl]carbamate

Systemtic Name: N-[[1-(4-azanyl-2-chloranyl-3-fluoranyl-phenyl)pyrrolidin-3-yl]methyl]carbamate Openeye Name: N-[[1-(4-amino-2-chloro-3-fluoro-phenyl)pyrrolidin-3-yl]methyl]carbamate CAS Name: N-[[1-(4-amino-2-chloro-3-fluorophenyl)-3-pyrrolidinyl]methyl]carbamate IUPAC Name: N-[[1-(4-amino-2-chloro-3-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate Traditional Name: N-[[1-(4-amino-2-chloro-3-fluoro-phenyl)pyrrolidin-3-yl]methyl]carbamate Formula: C12H14ClFN3O2- MolecularWeight: 286.709863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)[O-])C2=C(C(=C(C=C2)N)F)Cl

Isomeric SMILES

C1CN(CC1CNC(=O)[O-])C2=C(C(=C(C=C2)N)F)Cl

InChI

InChI=1S/C12H15ClFN3O2/c13-10-9(2-1-8(15)11(10)14)17-4-3-7(6-17)5-16-12(18)19/h1-2,7,16H,3-6,15H2,(H,18,19)/p-1