1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)benzyl]pyrrolidine-2-carboxamide Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)N3C=NC=N3)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2=C(C=CC(=C2)Cl)N3C=NC=N3)N

InChI

InChI=1S/C20H27ClN6O2/c1-20(2,3)17(22)19(29)26-8-4-5-16(26)18(28)24-10-13-9-14(21)6-7-15(13)27-12-23-11-25-27/h6-7,9,11-12,16-17H,4-5,8,10,22H2,1-3H3,(H,24,28)