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

Systemtic Name: 5-azanyl-1-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-N-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-benzyl-1-[2-(4-isopropylanilino)-2-oxo-ethyl]triazole-4-carboxamide CAS Name: 5-amino-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-benzyl-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]triazole-4-carboxamide Traditional Name: 5-amino-N-benzyl-1-(2-cumidino-2-keto-ethyl)triazole-4-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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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)NCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N

InChI

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