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

Systemtic Name: 5-azanyl-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[2-(3,5-dimethylanilino)-2-keto-ethyl]-N-phenethyl-triazole-4-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-14-10-15(2)12-17(11-14)24-18(28)13-27-20(22)19(25-26-27)21(29)23-9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13,22H2,1-2H3,(H,23,29)(H,24,28)