4-(4-tert-butylphenyl)carbonyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-tert-butylbenzoyl)-N-[2-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-tert-butylbenzoyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(4-tert-butylbenzoyl)-N-[2-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C23H25N3O2/c1-23(2,3)18-9-7-16(8-10-18)21(27)17-14-20(26-15-17)22(28)25-13-11-19-6-4-5-12-24-19/h4-10,12,14-15,26H,11,13H2,1-3H3,(H,25,28)