(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C26H39N5O5 MolecularWeight: 501.61836

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4CC4

InChI

InChI=1S/C26H39N5O5/c1-36-15-14-29(17-18-2-10-22(11-3-18)31(34)35)23-12-13-30(26(33)19-4-5-19)24(16-23)25(32)28-21-8-6-20(27)7-9-21/h2-3,10-11,19-21,23-24H,4-9,12-17,27H2,1H3,(H,28,32)/t20?,21?,23?,24-/m1/s1