N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]pyrrolidine-2-carboxamide Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCCN

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCCN

InChI

InChI=1S/C25H32N6O5/c26-9-11-28-24(32)23-13-21(16-30(23)25(33)19-3-1-10-27-14-19)29(17-22-4-2-12-36-22)15-18-5-7-20(8-6-18)31(34)35/h1,3,5-8,10,14,21-23H,2,4,9,11-13,15-17,26H2,(H,28,32)