N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C27H36N6O5 MolecularWeight: 524.61194

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C27H36N6O5/c1-38-14-13-31(17-19-4-10-23(11-5-19)33(36)37)24-15-25(26(34)30-22-8-6-21(28)7-9-22)32(18-24)27(35)20-3-2-12-29-16-20/h2-5,10-12,16,21-22,24-25H,6-9,13-15,17-18,28H2,1H3,(H,30,34)