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

Systemtic Name: 5-azanyl-1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(4-isopropylanilino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-(2-cumidino-2-keto-ethyl)-N-phenethyl-triazole-4-carboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2/c1-15(2)17-8-10-18(11-9-17)25-19(29)14-28-21(23)20(26-27-28)22(30)24-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14,23H2,1-2H3,(H,24,30)(H,25,29)