1-(2-azanyl-2-cyclohexyl-ethanoyl)-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]azetidine-2-carboxamide hydrochloride

Systemtic Name: 1-(2-azanyl-2-cyclohexyl-ethanoyl)-N-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]azetidine-2-carboxamide hydrochloride Openeye Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]azetidine-2-carboxamide hydrochloride CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-azetidinecarboxamide hydrochloride IUPAC Name: 1-(2-amino-2-cyclohexylacetyl)-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]azetidine-2-carboxamide hydrochloride Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)benzyl]azetidine-2-carboxamide hydrochloride Formula: C21H28Cl2N6O2 MolecularWeight: 467.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)N.Cl

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)N.Cl

InChI

InChI=1S/C21H27ClN6O2.ClH/c22-16-6-7-17(28-13-24-12-26-28)15(10-16)11-25-20(29)18-8-9-27(18)21(30)19(23)14-4-2-1-3-5-14;/h6-7,10,12-14,18-19H,1-5,8-9,11,23H2,(H,25,29);1H