N-[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(2-thiophen-2-ylethanoylamino)propanamide

Systemtic Name: N-[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(2-thiophen-2-ylethanoylamino)propanamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[2-(2-thienyl)acetyl]amino]propanamide CAS Name: N-[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]-3-cyclohexyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propanamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolidin-3-yl)-3-cyclohexyl-2-[[2-(2-thienyl)acetyl]amino]propionamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C27H34N4O2S/c28-19-27(13-14-31(20-27)18-22-10-5-2-6-11-22)30-26(33)24(16-21-8-3-1-4-9-21)29-25(32)17-23-12-7-15-34-23/h2,5-7,10-12,15,21,24H,1,3-4,8-9,13-14,16-18,20H2,(H,29,32)(H,30,33)