4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide CAS Name: 4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC(C)(C)C)C(=O)NC2=CN=C3C(=C2)C=CN3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC(C)(C)C)C(=O)NC2=CN=C3C(=C2)C=CN3

InChI

InChI=1S/C21H21N3O/c1-14-11-15(7-9-21(2,3)4)5-6-18(14)20(25)24-17-12-16-8-10-22-19(16)23-13-17/h5-6,8,10-13H,1-4H3,(H,22,23)(H,24,25)