N-(3-cyano-4-methyl-5-piperidin-1-ylcarbonyl-thiophen-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(3-cyano-4-methyl-5-piperidin-1-ylcarbonyl-thiophen-2-yl)adamantane-1-carboxamide Openeye Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]adamantane-1-carboxamide CAS Name: N-[3-cyano-4-methyl-5-[oxo(1-piperidinyl)methyl]-2-thiophenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]adamantane-1-carboxamide Traditional Name: N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)-2-thienyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCCCC5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCCCC5

InChI

InChI=1S/C23H29N3O2S/c1-14-18(13-24)20(29-19(14)21(27)26-5-3-2-4-6-26)25-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h15-17H,2-12H2,1H3,(H,25,28)