5-azanyl-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-(2-keto-2-mesidino-ethyl)-N-phenethyl-triazole-4-carboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C22H26N6O2/c1-14-11-15(2)19(16(3)12-14)25-18(29)13-28-21(23)20(26-27-28)22(30)24-10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13,23H2,1-3H3,(H,24,30)(H,25,29)