N-(3-methylbutanoyl)-5-(3-methylbutanoylamino)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-methylbutanoyl)-5-(3-methylbutanoylamino)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-methylbutanoyl)-5-(3-methylbutanoylamino)triazole-4-carboxamide CAS Name: N-(3-methyl-1-oxobutyl)-5-[(3-methyl-1-oxobutyl)amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-(3-methylbutanoyl)-5-(3-methylbutanoylamino)triazole-4-carboxamide Traditional Name: 1-benzyl-N-isovaleryl-5-(isovalerylamino)triazole-4-carboxamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC(=O)CC(C)C

InChI

InChI=1S/C20H27N5O3/c1-13(2)10-16(26)21-19-18(20(28)22-17(27)11-14(3)4)23-24-25(19)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,21,26)(H,22,27,28)