N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(3-ethylpyrrolidin-2-yl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(3-ethylpyrrolidin-2-yl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-(3-ethylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[(3-ethyl-2-pyrrolidinyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(3-ethylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-1-(3-ethylprolyl)pyrrolidine-2-carboxamide Formula: C20H29ClN4O2 MolecularWeight: 392.92286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCNC1C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN

Isomeric SMILES

CCC1CCNC1C(=O)N2CCCC2C(=O)NCC3=C(C=CC(=C3)Cl)CN

InChI

InChI=1S/C20H29ClN4O2/c1-2-13-7-8-23-18(13)20(27)25-9-3-4-17(25)19(26)24-12-15-10-16(21)6-5-14(15)11-22/h5-6,10,13,17-18,23H,2-4,7-9,11-12,22H2,1H3,(H,24,26)