(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C23H29N5O2S MolecularWeight: 439.57366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CC2=CC=C(C=C2)C#N)CC3=CC=CS3

InChI

InChI=1S/C23H29N5O2S/c1-17(29)28-11-8-20(13-22(28)23(30)26-10-9-24)27(16-21-3-2-12-31-21)15-19-6-4-18(14-25)5-7-19/h2-7,12,20,22H,8-11,13,15-16,24H2,1H3,(H,26,30)/t20?,22-/m1/s1