N-[[2-(2-azanylethyl)-5-chloranyl-phenyl]methyl]-1-(2-azanyl-3-pyridin-2-yl-propanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(2-azanylethyl)-5-chloranyl-phenyl]methyl]-1-(2-azanyl-3-pyridin-2-yl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(2-aminoethyl)-5-chloro-phenyl]methyl]-1-[2-amino-3-(2-pyridyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-1-[2-amino-1-oxo-3-(2-pyridinyl)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(2-aminoethyl)-5-chlorophenyl]methyl]-1-(2-amino-3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(2-aminoethyl)-5-chloro-benzyl]-1-[2-amino-3-(2-pyridyl)propanoyl]pyrrolidine-2-carboxamide Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=N2)N)C(=O)NCC3=C(C=CC(=C3)Cl)CCN

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=N2)N)C(=O)NCC3=C(C=CC(=C3)Cl)CCN

InChI

InChI=1S/C22H28ClN5O2/c23-17-7-6-15(8-9-24)16(12-17)14-27-21(29)20-5-3-11-28(20)22(30)19(25)13-18-4-1-2-10-26-18/h1-2,4,6-7,10,12,19-20H,3,5,8-9,11,13-14,24-25H2,(H,27,29)