(2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN([C@H](CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H34N6O4/c30-14-16-32-28(36)27-19-26(13-18-34(27)29(37)24-7-4-15-31-20-24)33(17-12-22-5-2-1-3-6-22)21-23-8-10-25(11-9-23)35(38)39/h1-11,15,20,26-27H,12-14,16-19,21,30H2,(H,32,36)/t26?,27-/m1/s1