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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]pipecolinamide Formula: C27H35N5O2S MolecularWeight: 493.6641

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)C#N)CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)C#N)CC4=CC=CS4

InChI

InChI=1S/C27H35N5O2S/c1-19(33)32-13-12-24(15-26(32)27(34)30-23-10-8-22(29)9-11-23)31(18-25-3-2-14-35-25)17-21-6-4-20(16-28)5-7-21/h2-7,14,22-24,26H,8-13,15,17-18,29H2,1H3,(H,30,34)/t22?,23?,24?,26-/m1/s1