4-ethanoyl-3,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-3,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-3,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-3,5-dimethyl-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-3,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-3,5-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3

InChI

InChI=1S/C20H22N6O3/c1-11-17(14(4)27)12(2)23-18(11)20(29)25-16-7-5-15(6-8-16)24-19(28)13(3)26-10-21-9-22-26/h5-10,13,23H,1-4H3,(H,24,28)(H,25,29)