4-(4-tert-butylphenyl)carbonyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-tert-butylbenzoyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-tert-butylbenzoyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(4-tert-butylbenzoyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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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)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H26N4O2/c1-22(2,3)18-7-5-16(6-8-18)20(27)17-13-19(25-14-17)21(28)24-9-4-11-26-12-10-23-15-26/h5-8,10,12-15,25H,4,9,11H2,1-3H3,(H,24,28)