N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-azanyl-2-cyclohexyl-ethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-azanyl-2-cyclohexyl-ethanoyl)pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-2-cyclohexylacetyl)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[2-(aminomethyl)-5-chloro-benzyl]pyrrolidine-2-carboxamide Formula: C21H31ClN4O2 MolecularWeight: 406.94944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN)N

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN)N

InChI

InChI=1S/C21H31ClN4O2/c22-17-9-8-15(12-23)16(11-17)13-25-20(27)18-7-4-10-26(18)21(28)19(24)14-5-2-1-3-6-14/h8-9,11,14,18-19H,1-7,10,12-13,23-24H2,(H,25,27)