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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-phenethyl-amino]pipecolinamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33N5O2/c1-20(32)31-16-12-24(17-25(31)26(33)29-14-13-27)30(15-11-21-5-3-2-4-6-21)19-23-9-7-22(18-28)8-10-23/h2-10,24-25H,11-17,19,27H2,1H3,(H,29,33)/t24?,25-/m1/s1