4-(4-tert-butylphenyl)carbonyl-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)carbonyl-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(4-tert-butylbenzoyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(4-tert-butylbenzoyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-(4-tert-butylbenzoyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide Formula: C21H29N3O2 MolecularWeight: 355.47386

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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)NCCCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN(C)C

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)17-9-7-15(8-10-17)19(25)16-13-18(23-14-16)20(26)22-11-6-12-24(4)5/h7-10,13-14,23H,6,11-12H2,1-5H3,(H,22,26)