3-but-1-ynyl-4-cyano-5-(phenylcarbonyl)-2-pyrrolidin-3-yl-benzamide

Systemtic Name: 3-but-1-ynyl-4-cyano-5-(phenylcarbonyl)-2-pyrrolidin-3-yl-benzamide Openeye Name: 5-benzoyl-3-but-1-ynyl-4-cyano-2-pyrrolidin-3-yl-benzamide CAS Name: 5-benzoyl-3-but-1-ynyl-4-cyano-2-(3-pyrrolidinyl)benzamide IUPAC Name: 5-benzoyl-3-but-1-ynyl-4-cyano-2-pyrrolidin-3-ylbenzamide Traditional Name: 5-benzoyl-3-but-1-ynyl-4-cyano-2-pyrrolidin-3-yl-benzamide Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C(=CC(=C1C2CCNC2)C(=O)N)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC#CC1=C(C(=CC(=C1C2CCNC2)C(=O)N)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H21N3O2/c1-2-3-9-17-20(13-24)18(22(27)15-7-5-4-6-8-15)12-19(23(25)28)21(17)16-10-11-26-14-16/h4-8,12,16,26H,2,10-11,14H2,1H3,(H2,25,28)