N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide

Systemtic Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide Openeye Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide CAS Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide IUPAC Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide Traditional Name: N-butyl-2-(3,3-dimethylbut-1-ynyl)-4-(1H-imidazol-5-ylmethylamino)benzamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C#CC(C)(C)C

Isomeric SMILES

CCCCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C#CC(C)(C)C

InChI

InChI=1S/C21H28N4O/c1-5-6-11-23-20(26)19-8-7-17(24-14-18-13-22-15-25-18)12-16(19)9-10-21(2,3)4/h7-8,12-13,15,24H,5-6,11,14H2,1-4H3,(H,22,25)(H,23,26)