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

Systemtic Name: 4-ethanoyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyrrole-2-carboxamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CN2)C(=O)C)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CN2)C(=O)C)N3C=NC=N3

InChI

InChI=1S/C18H18N6O3/c1-11(24-10-19-9-21-24)17(26)22-14-3-5-15(6-4-14)23-18(27)16-7-13(8-20-16)12(2)25/h3-11,20H,1-2H3,(H,22,26)(H,23,27)