4-(4-tert-butylphenyl)carbonyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-tert-butylbenzoyl)-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-tert-butylbenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(4-tert-butylbenzoyl)-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide Formula: C22H23N3O2 MolecularWeight: 361.43692

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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)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H23N3O2/c1-22(2,3)18-8-6-16(7-9-18)20(26)17-11-19(24-14-17)21(27)25-13-15-5-4-10-23-12-15/h4-12,14,24H,13H2,1-3H3,(H,25,27)