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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-isobutyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-isobutyl-amino]pipecolinamide Formula: C22H33N5O2 MolecularWeight: 399.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN(C(C2)C(=O)NCCN)C(=O)C

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)C#N)C2CCN([C@H](C2)C(=O)NCCN)C(=O)C

InChI

InChI=1S/C22H33N5O2/c1-16(2)14-26(15-19-6-4-18(13-24)5-7-19)20-8-11-27(17(3)28)21(12-20)22(29)25-10-9-23/h4-7,16,20-21H,8-12,14-15,23H2,1-3H3,(H,25,29)/t20?,21-/m1/s1