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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O4/c1-19(31)29-16-12-23(17-24(29)25(32)27-14-13-26)28(15-11-20-5-3-2-4-6-20)18-21-7-9-22(10-8-21)30(33)34/h2-10,23-24H,11-18,26H2,1H3,(H,27,32)/t23?,24-/m1/s1