(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidino]-N-(3-cyano-2-thienyl)propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O2S/c1-15(18(25)22-19-17(14-21)8-13-27-19)23-11-6-16(7-12-23)20(26)24-9-4-2-3-5-10-24/h8,13,15-16H,2-7,9-12H2,1H3,(H,22,25)/t15-/m1/s1