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

Systemtic Name: 5-azanyl-N,N-bis(3-methylbutanoyl)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-benzyl-N,N-bis(3-methylbutanoyl)triazole-4-carboxamide CAS Name: 5-amino-N,N-bis(3-methyl-1-oxobutyl)-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-benzyl-N,N-bis(3-methylbutanoyl)triazole-4-carboxamide Traditional Name: 5-amino-1-benzyl-N,N-diisovaleryl-triazole-4-carboxamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(C(=O)CC(C)C)C(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(=O)N(C(=O)CC(C)C)C(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N

InChI

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