5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(2-anilino-2-oxo-ethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide CAS Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(2-anilino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(2-anilino-2-keto-ethyl)-N-homoveratryl-triazole-4-carboxamide Formula: C21H24N6O4 MolecularWeight: 424.45306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H24N6O4/c1-30-16-9-8-14(12-17(16)31-2)10-11-23-21(29)19-20(22)27(26-25-19)13-18(28)24-15-6-4-3-5-7-15/h3-9,12H,10-11,13,22H2,1-2H3,(H,23,29)(H,24,28)