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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[cyclopropyl(oxo)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]pipecolinamide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H31N5O4/c23-10-11-24-21(28)20-13-19(9-12-25(20)22(29)16-3-4-16)26(17-7-8-17)14-15-1-5-18(6-2-15)27(30)31/h1-2,5-6,16-17,19-20H,3-4,7-14,23H2,(H,24,28)/t19?,20-/m1/s1