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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]pipecolinamide Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H39N5O2/c1-22(36)35-18-16-28(19-29(35)30(37)33-27-13-11-26(32)12-14-27)34(17-15-23-5-3-2-4-6-23)21-25-9-7-24(20-31)8-10-25/h2-10,26-29H,11-19,21,32H2,1H3,(H,33,37)/t26?,27?,28?,29-/m1/s1